4-chloro-N-(2-(diethylamino)ethyl)aniline

HCID 224501CAS 5427-35-0

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Basic information

Standard SMILES: CCN(CC)CCNc1ccc(Cl)cc1
InChIKey: NCAAIVMJHDTUNT-UHFFFAOYSA-N
Molecular formula: C12H19ClN2
Average molar mass: 226.74 g/mol
Monoisotopic mass: 226.12367629

Names & identifiers

Preferred name: 4-chloro-N-(2-(diethylamino)ethyl)aniline
IUPAC: N-(4-chlorophenyl)-N',N'-diethylethane-1,2-diamine

Names & synonyms

4-CHLORO-N-[2-(DIETHYLAMINO)ETHYL]ANILINE4-chloro-N-(2-(diethylamino)ethyl)anilineRefChem:521820973-737-75427-35-0N-(4-chlorophenyl)-N',N'-diethylethane-1,2-diamineNSC13014SCHEMBL1724150DTXSID00969289NCAAIVMJHDTUNT-UHFFFAOYSA-NFAA42735NSC-13014

Show more names

AKOS0002541834-chloro-N-(2-(diethylamino)ethyl)benzenamineEN300-254380N~2~-(4-Chlorophenyl)-N~1~,N~1~-diethylethane-1,2-diamine

Database identifiers

CAS: 5427-35-0
PubChem CID: 224501
DTXSID: DTXSID00969289
EC Number: 973-737-7

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 15
Formal charge: 0
Complexity: 152

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, 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.