N-(3-Chloropropyl)-3,4-dimethoxy-N-methylphenethylamine

HCID 577693CAS 36770-74-8

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Basic information

Standard SMILES: COc1ccc(CCN(C)CCCCl)cc1OC
InChIKey: HJBBKVHYQQUPQW-UHFFFAOYSA-N
Molecular formula: C14H22ClNO2
Average molar mass: 271.78 g/mol
Monoisotopic mass: 271.13390662

Names & identifiers

Preferred name: N-(3-Chloropropyl)-3,4-dimethoxy-N-methylphenethylamine
IUPAC: 3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropan-1-amine
English name: N-Methyl-N-(3-chloropropyl)-3,4-dimethoxyphenethylamine
Molecular formula: C14H22ClNO2
Molecular weight: 271.78

Names & synonyms

N-(3-Chloropropyl)-3,4-dimethoxy-N-methylphenethylamineRefChem:82649236770-74-83-chloro-n-(3,4-dimethoxyphenethyl)-n-methylpropan-1-amineN-Methyl-N-(3-chloropropyl)homoveratrylamineVerapamil EP Impurity DN-(3-Chloropropyl)-3,4-dimethoxy-N-methylbenzeneethanamine3-CHLOROPROPYL-[2-(3,4-DIMETHOXYPHENYL)ETHYL]METHYLAMINE3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropan-1-amineN-METHYL-N-(3-CHLOROPROPYL)-3,4-DIMETHOXYPHENETHYLAMINE1RK3H74O3YBenzeneethanamine, N-(3-chloropropyl)-3,4-dimethoxy-N-methyl-

Show more names

Verapamil EP Impurityverapamil impurities877Verapamil EP Impurity D HCl3-Chloro-N-[2-(3,4-dimethoxyphenyl)Verapamil Hydrochloride EP Impurity DVerapamil Impurity 4（Verapamil EP Impurity D）

Verapamil Impurity DUNII-1RK3H74O3Y3-CHLORO-N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-N-METHYLPROPAN-1-AMINEEINECS 253-198-8SR-45813SCHEMBL3656443SCHEMBL27436615DTXSID001192363

Database identifiers

CAS: 36770-74-8
PubChem CID: 577693
DTXSID: DTXSID001192363
UNII: 1RK3H74O3Y
EC Number: 253-198-8
Nikkaji: J331.065E

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 21.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 18
Formal charge: 0
Complexity: 216

Physicochemical properties

Boiling point: 69 · 69-70 °C(Press: 0.005 Torr)
Density: 1.066 · 1.066±0.06 g/cm3(Predicted)
storage temp.: Refrigerator, under inert atmosphere
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 8.8 · 8.80±0.50(Predicted)
form: White to Off-White Semi-Solid
Major Application: pharmaceutical
FDA UNII: 1 RK3H74O3Y · 1RK3H74O3Y
UNSPSC Code: 41116107 · 41116107
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501
WGK Germany: 3 · WGK 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P270, P301+P317, P330, 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.

Safety data

wgk: WGK 3
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H302
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P264-P270-P301+P312-P330-P501

Chemistry & industry

Applications

UsesN-(3-Chloropropyl)-3,4-dimethoxy-N-methylbenzeneethanamine (Verapamil EP Impurity D) is a reagent in the synthesis of Zatebradine, an anti-anginal agent.