2-Methyl-1H-imidazole-1-propanamine - CAS 2258-21-1

Catalog:	BB017676
Product Name:	2-Methyl-1H-imidazole-1-propanamine
CAS:	2258-21-1
Synonyms:	3-(2-methyl-1-imidazolyl)-1-propanamine; 3-(2-methylimidazol-1-yl)propan-1-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-(2-methylimidazol-1-yl)propan-1-amine
Description:	2-Methyl-1H-imidazole-1-propanamine (CAS# 2258-21-1) is a useful research chemical.
Molecular Weight:	139.20
Molecular Formula:	C7H13N3
Canonical SMILES:	CC1=NC=CN1CCCN
InChI:	InChI=1S/C7H13N3/c1-7-9-4-6-10(7)5-2-3-8/h4,6H,2-3,5,8H2,1H3
InChI Key:	NDUDHWBKFFJGMA-UHFFFAOYSA-N
Boiling Point:	288.3 °C at 760 mmHg
Density:	1.08 g/cm³
MDL:	MFCD00272462
LogP:	1.24060

Publication Number	Title	Priority Date
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Related Functional Groups

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ethyl 4,5-dibromo-1H-imidazole-2-carboxylate
[64038-58-0]
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GHS Hazard Statement:	H302 (99.22%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	94.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.110947427
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	139.110947427
Rotatable Bond Count:	3
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2