benzyl N-[(3R)-3-aminobutyl]carbamate

benzyl N-[(3R)-3-aminobutyl]carbamate

CAS: 1187927-77-0

Formula: C12H18N2O2

SMILES: C[C@@H](N)CCNC(=O)OCC1=CC=CC=C1

IUPAC: benzyl N-[(3R)-3-aminobutyl]carbamate

InChI: InChI=1S/C12H18N2O2/c1-10(13)7-8-14-12(15)16-9-11-5-3-2-4-6-11/h2-6,10H,7-9,13H2,1H3,(H,14,15)/t10-/m1/s1

Composition: C (64.84%), H (8.16%), N (12.60%), O (14.39%)

Molar Mass: 222.288

Atom Count: 34

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	222.136827828
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	BCEXTNLECRJBLD-SNVBAGLBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.83
Topological Polar Surface Area	64.35
Polarizability	24.8
Ring Count	1
Rotatable Bond Count	6

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97%	<2 Days	1187927-77-0		$179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70