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1222902-68-2 | Carbamic acid, N-[1-(aminomethyl)-2-phenylethyl]-, 1,1-dimethylethyl ester, 2-butenedioate (1:1)
CAS No: 1222902-68-2 Catalog No: AG00171L MDL No:MFCD11974399
Product Description
Catalog Number:
AG00171L
Chemical Name:
Carbamic acid, N-[1-(aminomethyl)-2-phenylethyl]-, 1,1-dimethylethyl ester, 2-butenedioate (1:1)
CAS Number:
1222902-68-2
Molecular Formula:
C18H26N2O6
Molecular Weight:
366.4088
MDL Number:
MFCD11974399
IUPAC Name:
tert-butyl N-(1-amino-3-phenylpropan-2-yl)carbamate
InChI:
InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-12(10-15)9-11-7-5-4-6-8-11/h4-8,12H,9-10,15H2,1-3H3,(H,16,17)
InChI Key:
LHZRJEOMDFKIJM-UHFFFAOYSA-N
SMILES:
OC(=O)C=CC(=O)O.NCC(Cc1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.168g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.342g/mol
Monoisotopic Mass:
250.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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