1-Benzyl-3-methylpyrrolidin-3-amine

HCID 10511897CAS 181114-76-1

Substructure search Find similar structures

Basic information

Standard SMILES: CC1(N)CCN(Cc2ccccc2)C1
InChIKey: GMZNKWUBDUKXRX-UHFFFAOYSA-N
Molecular formula: C12H18N2
Average molar mass: 190.28 g/mol
Monoisotopic mass: 190.14699858

Names & identifiers

Preferred name: 1-Benzyl-3-methylpyrrolidin-3-amine
IUPAC: 1-benzyl-3-methylpyrrolidin-3-amine
English name: 1-Benzyl-3-methylpyrrolidin-3-ylamine
Molecular formula: C12H18N2
Molecular weight: 190.28

Names & synonyms

1-BENZYL-3-METHYLPYRROLIDIN-3-AMINE181114-76-1DTXSID90441024RefChem:228029DTXCID20391846816-890-61-BENZYL-3-METHYLPYRROLIDIN-3-YLAMINE3-Pyrrolidinamine, 3-methyl-1-(phenylmethyl)-MFCD082739141-benzyl-3-methyl-pyrrolidin-3-amineSCHEMBL950871CHEMBL4568564

Show more names

3-methyl-1-(phenylmethyl)-3-pyrrolidinamine

GMZNKWUBDUKXRX-UHFFFAOYSA-NGHA11476ZB0576AKOS006238552AS-35439SY174320DB-013789CS-0216680

Database identifiers

CAS: 181114-76-1
PubChem CID: 10511897
DTXSID: DTXSID90441024
ChEMBL: CHEMBL4568564
EC Number: 816-890-6

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 187

Physicochemical properties

Boiling point: 266.6 · 266.6±33.0 °C(Predicted)
Density: 1.033 · 1.033±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 9.74 · 9.74±0.20(Predicted)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H302-H315-H318-H335
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501