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138374-18-2 | Carbamic acid, (2-amino-2-phenylethyl)-, 1,1-dimethylethyl ester, monohydrochloride (9CI)
CAS No: 138374-18-2 Catalog No: AG0018OR MDL No:MFCD09026895
Product Description
Catalog Number:
AG0018OR
Chemical Name:
Carbamic acid, (2-amino-2-phenylethyl)-, 1,1-dimethylethyl ester, monohydrochloride (9CI)
CAS Number:
138374-18-2
Molecular Formula:
C13H21ClN2O2
Molecular Weight:
272.7710
MDL Number:
MFCD09026895
IUPAC Name:
tert-butyl N-(2-amino-2-phenylethyl)carbamate;hydrochloride
InChI:
InChI=1S/C13H20N2O2.ClH/c1-13(2,3)17-12(16)15-9-11(14)10-7-5-4-6-8-10;/h4-8,11H,9,14H2,1-3H3,(H,15,16);1H
InChI Key:
YFSIJTNVVDFDRU-UHFFFAOYSA-N
SMILES:
NC(c1ccccc1)CNC(=O)OC(C)(C)C.Cl
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.129g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
272.773g/mol
Monoisotopic Mass:
272.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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