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1269493-35-7 | Carbamic acid, N-[(2S)-2-aminopropyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1269493-35-7 Catalog No: AG000WFV MDL No:MFCD16295171
Product Description
Catalog Number:
AG000WFV
Chemical Name:
Carbamic acid, N-[(2S)-2-aminopropyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1269493-35-7
Molecular Formula:
C8H19ClN2O2
Molecular Weight:
210.7017
MDL Number:
MFCD16295171
IUPAC Name:
tert-butyl N-[(2S)-2-aminopropyl]carbamate;hydrochloride
InChI:
InChI=1S/C8H18N2O2.ClH/c1-6(9)5-10-7(11)12-8(2,3)4;/h6H,5,9H2,1-4H3,(H,10,11);1H/t6-;/m0./s1
InChI Key:
NXKQBPNSELZLGM-RGMNGODLSA-N
SMILES:
C[C@@H](CNC(=O)OC(C)(C)C)N.Cl
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
210.114g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
210.702g/mol
Monoisotopic Mass:
210.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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