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tert-butyl N-[(3S)-3-aminobutyl]carbamate hydrochloride

tert-butyl N-[(3S)-3-aminobutyl]carbamate hydrochloride

CAS: 1187927-64-5

Formula: C9H21ClN2O2

SMILES: Cl.C[C@H](N)CCNC(=O)OC(C)(C)C

IUPAC: tert-butyl N-[(3S)-3-aminobutyl]carbamate hydrochloride

InChI: InChI=1S/C9H20N2O2.ClH/c1-7(10)5-6-11-8(12)13-9(2,3)4;/h7H,5-6,10H2,1-4H3,(H,11,12);1H/t7-;/m0./s1

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 CHJWJSGQPJFHRC-FJXQXJEOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.03
Topological Polar Surface Area 64.35
Polarizability 20.74
Ring Count 0
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1187927-64-5 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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