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N,1-dimethylpyrrolidin-3-amine

HCID 2758520
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
64021-83-6
Standard SMILES
CNC1CCN(C)C1
InChIKey
CZGIEJXGCLWRPY-UHFFFAOYSA-N
Molecular formula
C6H14N2
Average molar mass
114.19 g/mol
Monoisotopic mass
114.11569845

Names & identifiers

Preferred name
N,1-dimethylpyrrolidin-3-amine
IUPAC
N,1-dimethylpyrrolidin-3-amine
English name
N,N'-Dimethyl-3-aminopyrrolidine
Molecular formula
C6H14N2
Molecular weight
114.19

Names & synonyms

N,1-dimethylpyrrolidin-3-amine64021-83-6DTXSID90374368RefChem:358163DTXCID30325399672-217-4N,N'-Dimethyl-3-aminopyrrolidineMFCD00059061n,n-dimethyl-3-aminopyrrolidine3-Pyrrolidinamine, N,1-dimethyl-N,1-dimethyl-3-pyrrolidinaminemethyl(1-methylpyrrolidin-3-yl)amine
Show more names
N,N'-Dimethyl-3-aminopyrrolidine>N,N'-Dimethyl-3-aminopyrrolidine
Methyl-(1-methyl-pyrrolidin-3-yl)-amineSCHEMBL81623SCHEMBL595579SCHEMBL1934838SCHEMBL1936668NN'-Dimethyl-3-aminopyrrolidine1-methyl-3-pyrrolidinemethanamine3-methylamino-1-methylpyrrolidine

Database identifiers

CAS
64021-83-6
PubChem CID
2758520
DTXSID
DTXSID90374368
EC Number
672-217-4
Nikkaji
J208.452J

Properties

Computed structural properties

XLogP
0
Topological polar surface area
15.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
8
Formal charge
0
Complexity
72.9

Physicochemical properties

Boiling point
167 °C · 167 °C
Density
0.88 · 0.88
refractive index
1.453 · 1.4530-1.4570
Flash point
23 °C · 23 °C
storage temp.
0 · 0-10°C
pka
10.4 · 10.40±0.20(Predicted)
form
clear liquid
color
Colorless to Light yellow to Light orange
Specific Gravity
0.88 · 0.88
UNSPSC Code
12352116 · 12352116
Symbol(GHS)
5 · GHS05,GHS07
Signal word
Danger
Hazard statements
302 · H302-H315-H318-H335
Precautionary statements
261 · P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes
Xn
Risk Statements
22 · 22-37/38-41

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 · 4 items

Danger

H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (92.9%)

Safety data

wgk
3
ridadr
2733
hs_code
2933.99.9701
risk_code
22-37/38-41
Signal word
Danger
Symbol(GHS)
GHS05,GHS07
hazard_code
Xn
safety_code
26-39
hazard_class
3/8
packing_group
III
Hazard statements
H302-H315-H318-H335
Precautionary statements
P261-P264-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Suppliers27 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
成都安米诺泰医药科技有限公司028-85755578 18140172005 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]

Related reactions

36 records
New reaction record
HRID 77102 reaction equation
HRID 77102As reactantuspto-grants-2014_09
HRID 77109 reaction equation
HRID 77109As reactantuspto-grants-2014_09
HRID 175568 reaction equation
HRID 175568As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 205039 reaction equation
HRID 205039As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 313889 reaction equation
HRID 313889As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 467773 reaction equation
HRID 467773As reactantuspto-grants-2014_01
HRID 649843 reaction equation
HRID 649843As reactantuspto-grants-2001_08
HRID 844287 reaction equation
HRID 844287As reactantuspto-grants-2002_04
Page 1 of 5

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Safety Statements
26 · 26-39
RIDADR
2733 · 2733
WGK Germany
3 · 3
HS Code
2933.99 · 2933.99.9701
HazardClass
3 · 3/8
PackingGroup
III
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
北京迈瑞达科技有限公司010-82387566 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
佰美济华(河南)医药科技有限公司0371-88900765 18037465274 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]