Basic information
- CAS
2579-20-6- Standard SMILES
NCC1CCCC(CN)C1- InChIKey
QLBRROYTTDFLDX-UHFFFAOYSA-N- Molecular formula
- C8H18N2
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.14699858
Overview
inhibits both coatomer binding to Golgi membranes and secretion; structure in first source
Names & identifiers
- Preferred name
- 1,3-Bis(aminomethyl)cyclohexane
- IUPAC
- [3-(aminomethyl)cyclohexyl]methanamine
- English name
- 1,3-Cyclohexanebis(methylamine)
- Molecular formula
- C8H18N2
- Molecular weight
- 142.24
Names & synonyms
2579-20-61,3-Cyclohexanedimethanamine1,3-Bis(aminomethyl)cyclohexane1,3-Cyclohexanebis(methylamine)Kodak silver halide solvent HS-103VR58242KKBDTXSID40412381,3-bacJ48.534IDTXCID2021238CBM cpdRefChem:414168
Show more names
CBMA1,3-Bis(aminoethyl)cyclohexane1,3-CYCLOHEXANEBIS(METHYLAMINE) 99% MIXTURE OF CIS AND TRANScyclohexanedimethanamineHEXAHYDRO-M-XYLYLENEDIAMINE1,3-Cyclohexanediamine(HXDA)
219-941-5Cyclohexane-1,3-diyldimethanamine1,3-Di(aminomethyl)cyclohexane[3-(aminomethyl)cyclohexyl]methanamineEINECS 219-941-5UNII-VR58242KKBMFCD00001522BRN 2071397
Database identifiers
- CAS
2579-20-6- PubChem CID
- 17406
- DTXSID
DTXSID4041238- ChEMBL
CHEMBL3186877- UNII
- VR58242KKB
- EC Number
- 219-941-5
- Nikkaji
- J48.534I
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 83.3
Physicochemical properties
- Melting point
- -70 °C · -70 °C
- Boiling point
- 220 °C · 220 °C
- Density
- 0.945 g/mL · 0.945 g/mL at 25 °C(lit.)
- vapor pressure
- 34 Pa · 34Pa at 25℃
- refractive index
- 20 · n20/D 1.493(lit.)
- Flash point
- 223 °F · 223 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Liquid
- pka
- 10.57 · 10.57±0.29(Predicted)
- color
- Clear colorless
- Water Solubility
- Soluble
- InChI
- InChI=1S/C8H18N2/c9-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6,9-10H2
- InChIKey
- QLBRROYTTDFLDX-UHFFFAOYSA-N
- SMILES
- C1(CN)CCCC(CN)C1
- LogP
- 0.783 at · 0.783 at 21.5℃
- CAS DataBase Reference
- 2579 · 2579-20-6(CAS DataBase Reference)
- FDA UNII
- 58242 KKB · VR58242KKB
- EPA Substance Registry System
- 1 · 1,3-Cyclohexanedimethanamine (2579-20-6)
- UNSPSC Code
- 26111700 · 26111700
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312-H314-H412
- Precautionary statements
- 270 · P270-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 20 · 20/21/22-34-22-52/53-35-21/22
- Safety Statements
- 26 · 26-27-28-36/37/39-45-25-61
- RIDADR
- 2735 · UN 2735 8/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 7000000 · GU7000000
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- I
- HS Code
- 29213000 · 29213000
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1A
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 880 mg/kg HURC** -,-,73
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 1.7% (7 of 413) of reports.
Danger
H302+H312 (12.8%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 413 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Hazard information
Regulatory Information
Chemical: 1,3-bis(aminomethyl)cyclohexane
1,3-Cyclohexanedimethanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Cyclohexanedimethanamine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 25-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/15661
1,3-Cyclohexanedimethanamine: 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.
Hazard Classes and Categories
Acute Tox. 4 (98.3%)
Acute toxicity (Oral) - Category 4
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- GU7000000
- ridadr
- UN 2735 8/PG 2
- hs_code
- 29213000
- Toxicity
- LD50 orl-rat: 880 mg/kg HURC** -,-,73
- risk_code
- 20/21/22-34-22-52/53-35-21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45-25-61
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- I
- Hazard statements
- H302+H312-H314-H412
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1A
- Precautionary statements
- P270-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 473,860 lb
Consumer UsesHardener
Industry UsesHardener
Household ProductsInformation on 1 consumer products that contain 1,3-Cyclohexanebis(methylamine) in the following categories is provided:
General Manufacturing Information
Paint and Coating Manufacturing
1,3-Cyclohexanedimethanamine: ACTIVE
Applications
Uses1,3-cyclohexanebis(methylamine) be used as organic intermediates and epoxy curing agents.
Uses1,3-Cyclohexanebis(methylamine), mixture of isomers (1,3-BAC), is used as a cross-linking agent that can be used in the formation of fiber-based membranes for the separation of CO2. It can also be used in the synthesis of open-framework bimetallic phosphites for potential usage in molecular sieves and ion exchangers.
General DescriptionThis product has been enhanced for energy efficiency.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
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武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
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宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
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TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
湖北隆信化工实业有限公司15271551270 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
康迪斯化工（湖北）有限公司13125172151 · [email protected]
郑州本和新材料有限公司17703858868 · [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]
潍坊市前进精细化工有限公司18753684562 · [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]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
杭州鼎燕化工有限公司0571-87157530-8003 18267553885 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
上海大然化学有限公司021-64478606 15900664856 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
武汉市承天精细化工有限公司18164098996 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
Related reactions
16 records
Compound notes
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