3-(2-Furyl)-1-methylpropylamine - CAS 768-57-0

Catalog:	BB050541
Product Name:	3-(2-Furyl)-1-methylpropylamine
CAS:	768-57-0
Synonyms:	3-Furan-2-yl-1-methyl-propylamine; 4-(2-furyl)-2-butanamine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-(furan-2-yl)butan-2-amine
Description:	3-(2-Furyl)-1-methylpropylamine (CAS# 768-57-0 ) is a useful research chemical.
Molecular Weight:	139.19
Molecular Formula:	C8H13NO
Canonical SMILES:	CC(CCC1=CC=CO1)N
InChI:	InChI=1S/C8H13NO/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6-7H,4-5,9H2,1H3
InChI Key:	FMXPHTQMUMXJKJ-UHFFFAOYSA-N
Boiling Point:	198.1 °C at 760 mmHg
Purity:	95 %
Density:	0.979 g/cm³
Appearance:	Liquid

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Related Functional Groups

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3-(2-Furyl)-1-methylpropylamine

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	95.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.099714038
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	139.099714038
Rotatable Bond Count:	3
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5