2-(butylamino)acetonitrile

2-(butylamino)acetonitrile

CAS: 3010-04-6

Formula: C6H12N2

SMILES: CCCCNCC#N

IUPAC: 2-(butylamino)acetonitrile

InChI: InChI=1S/C6H12N2/c1-2-3-5-8-6-4-7/h8H,2-3,5-6H2,1H3

Composition: C (64.24%), H (10.78%), N (24.97%)

Molar Mass: 112.176

Atom Count: 20

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	112.100048394
Formal Charge	0
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	SPMMZKAWNAKPJM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.63
Topological Polar Surface Area	35.82
Polarizability	13.15
Ring Count	0
Rotatable Bond Count	4

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