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1416450-61-7 | Carbamic acid, N-(3S)-3-pyrrolidinyl-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1416450-61-7 Catalog No: AG001GTI MDL No:MFCD11101396
Product Description
Catalog Number:
AG001GTI
Chemical Name:
Carbamic acid, N-(3S)-3-pyrrolidinyl-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1416450-61-7
Molecular Formula:
C9H19ClN2O2
Molecular Weight:
222.7124
MDL Number:
MFCD11101396
IUPAC Name:
tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;hydrochloride
InChI:
InChI=1S/C9H18N2O2.ClH/c1-9(2,3)13-8(12)11-7-4-5-10-6-7;/h7,10H,4-6H2,1-3H3,(H,11,12);1H/t7-;/m0./s1
InChI Key:
UYIZWZJKNFDMPB-FJXQXJEOSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1CNCC1.Cl
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
222.114g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
222.713g/mol
Monoisotopic Mass:
222.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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