HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

1,4,7-Trimethyl-1,4,7-triazacyclononane

HCID 546957
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
96556-05-7
Standard SMILES
CN1CCN(C)CCN(C)CC1
InChIKey
WLDGDTPNAKWAIR-UHFFFAOYSA-N
Molecular formula
C9H21N3
Average molar mass
171.28 g/mol
Monoisotopic mass
171.17354768

Names & identifiers

Preferred name
1,4,7-Trimethyl-1,4,7-triazacyclononane
IUPAC
1,4,7-trimethyl-1,4,7-triazonane
English name
1,4,7-Trimethyl-1,4,7-triazacyclononane
Molecular formula
C9H21N3
Molecular weight
171.28

Names & synonyms

96556-05-71,4,7-Trimethyl-1,4,7-triazacyclononanetmtacnR7BZK76RTP1H-1,4,7-Triazonine, octahydro-1,4,7-trimethyl-DTXSID80338151Me3TACNRefChem:415827DTXCID60289238619-228-21,4,7-Trimethyl-1,4,7-triazonaneMFCD00012359
Show more names
CL232ononane147TM147TZ1,4,7-TrimethyLTRIMETHYL TRICLEN-1,4,7-triazacycL1,4,7-Trimethyl-1,4,7-triazacycl1,4,7-Trimethyl-1,4,7-Triazacylononane
TMTANOctahydro-1,4,7-trimethyl-1H-1,4,7-triazoninen,n',n''-trimethyl-1,4,7-triazacyclononaneOctahydro-1,4,7-trimethyl-1H-1,4,7-triazonine; 1,4,7-Trimethyl-1,4,7-triazonane; N,N',N''-Trimethyl-1,4,7-triazacyclononane; TMTAN;UNII-R7BZK76RTPSCHEMBL151183orb29399071,4,7-Trimethyl-1,4,7-triazacyclononane (stabilized with NaHCO3)

Database identifiers

CAS
96556-05-7
PubChem CID
546957
DTXSID
DTXSID80338151
UNII
R7BZK76RTP
EC Number
619-228-2
Nikkaji
J351.554K

Properties

Computed structural properties

XLogP
-0.4
Topological polar surface area
9.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
91

Physicochemical properties

Boiling point
208 ℃ · 208℃
Density
0.884 g/mL · 0.884 g/mL at 25 °C(lit.)
vapor pressure
1.23 hPa · 1.23hPa at 25℃
refractive index
20 · n20/D 1.473(lit.)
Flash point
155 °F · 155 °F
storage temp.
2 · 2-8°C
solubility
Chloroform (Slightly), Methanol (Slightly)
pka
8.69 · 8.69±0.20(Predicted)
form
liquid
Specific Gravity
0.884 · 0.884
color
pale yellow
Sensitive
moisture sensitive
BRN
4174812 · 4174812
InChI
1S/C9H21N3/c1-10-4-6-11(2)8-9-12(3)7-5-10/h4-9H2,1-3H3
InChIKey
WLDGDTPNAKWAIR-UHFFFAOYSA-N
SMILES
CN1CCN(C)CCN(C)CC1
LogP

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 5 items

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (36.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 108 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 3 items

Chemical: 1H-1,4,7-Triazonine, octahydro-1,4,7-trimethyl-;Specific Information Requirement: Obligations to provide information apply. These obligations are:;1. A person introducing this chemical must tell us in writing within 28 calendar days if any of the following circumstances have occurred in relation to their introduction (importation or manufacture):;a. the introduction volume of the chemical exceeds 1 tonne per annum;;b. the concentration of the chemical exceeds or is intended to exceed 0.3% in paints or coatings.;2. A person who introduces this chemical must tell us in writing within 28 calendar days if they become aware of any of the following circumstances, namely, that since the assessment under the Industrial Chemicals (Notification and Assessment) Act 1989:;a. the function or use of the chemical has changed, or is likely to change, significantly;;b. the amount of the chemical being introduced has increased, or is likely to increase, significantly;;c. in the case of a chemical not manufactured, or proposed to be manufactured, in Australia at the time of the assessment—it has begun to be manufactured in Australia;;d. the method of manufacture of the chemical in Australia has changed, or is likely to change, in a way that may result in an increased risk of an adverse effect of the chemical on occupational health and safety, public health or the environment;;e. additional information has become available to the person as to an adverse effect of the chemical on occupational health and safety, public health or the environment.

Chemistry & industry

Applications

UsesUseful ligand for preparing transition metal complexes.

Upstream & downstream products

Upstream raw materials

Formaldehyde1,4,7-tris[(4-Methylphenyl)sulfonyl]-1,4,7-triazonaneSulfuric acidFormic acidSodium hydroxide

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

13 records
New reaction record
HRID 586754 reaction equation
HRID 586754As reactantuspto-grants-2005_08
HRID 1975277 reaction equation
HRID 1975277As productuspto-grants-1994_02
HRID 2003579 reaction equation
HRID 2003579As catalyst39k HTE dataset from Pfizer
HRID 2003652 reaction equation
HRID 2003652As catalyst39k HTE dataset from Pfizer
HRID 2004217 reaction equation
HRID 2004217As catalyst39k HTE dataset from Pfizer
HRID 2004350 reaction equation
HRID 2004350As catalyst39k HTE dataset from Pfizer
HRID 2004374 reaction equation
HRID 2004374As catalyst39k HTE dataset from Pfizer
HRID 2028395 reaction equation
HRID 2028395As catalyst39k HTE dataset from Pfizer
Page 1 of 2

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
0.446 · 0.446-1.67 at 40℃ and pH7-10.5
Surface tension
59.8 · 59.8-67.5mN/m at 1g/L and 20℃
Dissociation constant
2.86 · 2.86-8.63 at 20℃
FDA UNII
7 BZK76RTP · R7BZK76RTP
UNSPSC Code
12352005 · 12352005
NACRES
22 · NA.22
Symbol(GHS)
5 · GHS05
Signal word
Danger
Hazard statements
314 · H314
Precautionary statements
280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes
C,Xi
Risk Statements
34 · 34
Safety Statements
26 · 26-36/37/39-45
RIDADR
3267 · UN 3267 8/PG 2
WGK Germany
3 · 3
F
10 · 10-34
HazardClass
8 · 8
PackingGroup
III
HS Code
2933998090 · 2933998090
Storage Class
8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications
1 B · Skin Corr. 1B
REACH Registrations
Active

Status: Active Update: 08-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19878;Status: Active Update: 23-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19294

1,4,7-trimethyl-1,4,7-triazacyclononane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationAssessment (Variation) - 1H-1,4,7-Triazonine, octahydro-1,4,7- trimethyl-: Health and Environment
Hazard Classes and CategoriesAcute Tox. 4 (25%);Skin Corr. 1B (100%);Eye Dam. 1 (36.1%)

Regulatory information

Regulatory Information · 3 items

Chemical: 1H-1,4,7-Triazonine, octahydro-1,4,7-trimethyl-;Specific Information Requirement: Obligations to provide information apply. These obligations are:;1. A person introducing this chemical must tell us in writing within 28 calendar days if any of the following circumstances have occurred in relation to their introduction (importation or manufacture):;a. the introduction volume of the chemical exceeds 1 tonne per annum;;b. the concentration of the chemical exceeds or is intended to exceed 0.3% in paints or coatings.;2. A person who introduces this chemical must tell us in writing within 28 calendar days if they become aware of any of the following circumstances, namely, that since the assessment under the Industrial Chemicals (Notification and Assessment) Act 1989:;a. the function or use of the chemical has changed, or is likely to change, significantly;;b. the amount of the chemical being introduced has increased, or is likely to increase, significantly;;c. in the case of a chemical not manufactured, or proposed to be manufactured, in Australia at the time of the assessment—it has begun to be manufactured in Australia;;d. the method of manufacture of the chemical in Australia has changed, or is likely to change, in a way that may result in an increased risk of an adverse effect of the chemical on occupational health and safety, public health or the environment;;e. additional information has become available to the person as to an adverse effect of the chemical on occupational health and safety, public health or the environment.

Status: Active Update: 08-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19878;Status: Active Update: 23-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19294

1,4,7-trimethyl-1,4,7-triazacyclononane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Safety data

F
10-34
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 3267 8/PG 2
hs_code
2933998090
risk_code
34
Signal word
Danger
Symbol(GHS)
GHS05
hazard_code
C,Xi
safety_code
26-36/37/39-45
hazard_class
8
Storage Class
8A - Combustible corrosive hazardous materials
packing_group
III
Hazard statements
H314
REACH Registrations
Active
Hazard Classifications
Skin Corr. 1B
Precautionary statements
P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
衢州信诺医药科技有限公司0570-3856196 13615701454 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
山东优邦生物科技有限公司18765019857
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
苏州盖德精细材料有限公司0512-66627360 13914021065 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
湖北隆信化工实业有限公司15271551270 · [email protected]
上海灏云化工科技有限公司021-68367562 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
天津安浩生物科技有限公司[email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
武汉励合化学新材料有限公司027-88395709
上海孚一生物科技有限公司+86 (21) 61124340
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
杭州鼎燕化工有限公司0571-87157530-8003 18267553885 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
湖北鸿鑫瑞宇精细化工有限公司13477033894 13477038394 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]