tert-butyl N-(1-aminobutan-2-yl)carbamate hydrochloride

tert-butyl N-(1-aminobutan-2-yl)carbamate hydrochloride

CAS: 138374-00-2

Formula: C9H21ClN2O2

SMILES: Cl.CCC(CN)NC(=O)OC(C)(C)C

IUPAC: tert-butyl N-(1-aminobutan-2-yl)carbamate hydrochloride

InChI: InChI=1/C9H20N2O2.ClH/c1-5-7(6-10)11-8(12)13-9(2,3)4;/h7H,5-6,10H2,1-4H3,(H,11,12);1H

Composition: C (48.10%), H (9.42%), Cl (15.77%), N (12.47%), O (14.24%)

Molar Mass: 224.73

Atom Count: 35

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	224.1291556
Formal Charge	0
FSP3	0.89
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	SQWCEASKECSUOE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.68
Topological Polar Surface Area	64.35
Polarizability	20.74
Ring Count	0
Rotatable Bond Count	5

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