3-(2-Benzimidazolyl)-N-methyl-1-propanamine - CAS 64137-52-6

Catalog:	BB032376
Product Name:	3-(2-Benzimidazolyl)-N-methyl-1-propanamine
CAS:	64137-52-6
Synonyms:	3-(1H-benzimidazol-2-yl)-N-methyl-1-propanamine; 3-(1H-benzimidazol-2-yl)-N-methylpropan-1-amine

Technical Data

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Computed Properties

IUPAC Name:	3-(1H-benzimidazol-2-yl)-N-methylpropan-1-amine
Description:	3-(2-Benzimidazolyl)-N-methyl-1-propanamine (CAS# 64137-52-6) is a useful research chemical.
Molecular Weight:	189.26
Molecular Formula:	C11H15N3
Canonical SMILES:	CNCCCC1=NC2=CC=CC=C2N1
InChI:	InChI=1S/C11H15N3/c1-12-8-4-7-11-13-9-5-2-3-6-10(9)14-11/h2-3,5-6,12H,4,7-8H2,1H3,(H,13,14)
InChI Key:	VMZCBGQDEWCDBV-UHFFFAOYSA-N
Boiling Point:	401 °C at 760 mmHg
Density:	1.114 g/cm³
MDL:	MFCD03163256
LogP:	2.10580

Publication Number	Title	Priority Date
CN-110545806-A	calcium channel inhibitors	20170215
US-2020385367-A1	Calcium channel inhibitors	20170215
US-11130750-B2	Calcium channel inhibitors	20170215
JP-2014527962-A	Tetrahydronaphthalene derivatives as T-type calcium channel blockers	20110907
WO-2013036434-A1	Tetrahydronaphthalene derivatives as t-type calcium channel blocker	20110907

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GHS Hazard Statement:	H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P273, P280, P305+P351+P338, P310, and P501
Signal Word:	Danger

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.126597491
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	189.126597491
Rotatable Bond Count:	4
Topological Polar Surface Area:	40.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5