N,N-Bis(2-chloroethyl)benzylamine hydrochloride

HCID 2777881CAS 10429-82-0

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Basic information

Standard SMILES: Cl.ClCCN(CCCl)Cc1ccccc1
InChIKey: AZRWNJFEUSHORT-UHFFFAOYSA-N
Molecular formula: C11H16Cl3N
Average molar mass: 268.6 g/mol
Monoisotopic mass: 267.03483255

Names & identifiers

Preferred name: N,N-Bis(2-chloroethyl)benzylamine hydrochloride
IUPAC: N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride

Names & synonyms

10429-82-0benzylbis(2-chloroethyl)amine hydrochlorideN,N-Bis(2-chloroethyl)benzylamine hydrochlorideN-benzylbis(2-chloroethyl)amine hydrochlorideYFI3592JVSEmbitolBenzenemethanamine, N,N-bis(2-chloroethyl)-, hydrochlorideN,N-Bis(2-chloroethyl)benzenemethanamine hydrochlorideBENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-, HYDROCHLORIDEBenzyl-bis(2-chloroethyl)amine hydrochlorideBENZENEMETHANAMINE, N,N-BIS(2-CHLOROETHYL)-, HYDROCHLORIDE (1:1)RefChem:822131

Show more names

818-737-9N-Benzyl-bis(2-chloroethyl)amine hydrochlorideN-benzyl-2-chloro-N-(2-chloroethyl)ethanamine HydrochlorideN-benzyl-N,N-bis(2-chloroethyl)amine hydrochlorideMFCD00185654C11H16Cl3NCS-M1267N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine HCl

Database identifiers

CAS: 10429-82-0
PubChem CID: 2777881
DTXSID: DTXSID10908902
UNII: YFI3592JVS
EC Number: 818-737-9

Properties

Computed structural properties

Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 15
Formal charge: 0
Complexity: 129

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.