AG0080E9

135865-78-0 | Boc-(S)-3-Amino-3-phenylpropanal

AG0080E9

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CAS Number	135865-78-0
Catalog Number	AG0080E9(AGN-PC-0O18XX)
Chemical Name	Boc-(S)-3-Amino-3-phenylpropanal
IUPAC Name	tert-butyl N-[(1S)-3-oxo-1-phenylpropyl]carbamate
InChI	InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-12(9-10-16)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17)/t12-/m0/s1
InChI Key	ZGPCDZZHEWGTEU-LBPRGKRZSA-N
MDL Number	MFCD11559103
Molecular Formula	C14H19NO3
Molecular Weight	249.3056
SMILES	CC(C)(C)OC(=O)N[C@@H](CC=O)C1=CC=CC=C1
Synonyms	135865-78-0, Boc-(S)-3-Amino-3-phenylpropanal, (S)-TERT-BUTYL 3-OXO-1-PHENYLPROPYLCARBAMATE, N-Boc-(3S)-3-phenyl-3-aminopropionaldehyde, Boc-S-3-amino-3-phenylpropanal, (S)-Boc-3-Amino-3-phenylpropanal, tert-Butyl (1S)-3-Oxo-1-phenylpropylcarbamate, Carbamic acid,N-[(1S)-3-oxo-1-phenylpropyl]-, 1,1-dimethylethyl ester, AK-43925, Maraviroc intermediate, maraviroc intermediate 3, (S)-tert-butyl (3-oxo-1-phenylpropyl)carbamate, SCHEMBL717324, Tert-butyl N-[(1S)-3-oxo-1-phenyl-propyl]carbamate, CTK4C0040, KS-00000OLK, maraviroc intermediate(amino acid), ZGPCDZZHEWGTEU-LBPRGKRZSA-N, BCP09407, n-[(1s)-3-oxo-1-phenylpropyl]-, 6398AA, MFCD11559103, ZINC34464149, AKOS015890530, CS-W022595, AC-23795, AJ-88727, AN-32110, BC683563, DS-14333, AX8211504, DB-027220, RT-014293, ST2412689, tert-butyl 2-amino-4-oxo-2-phenylbutanoate, FT-0663552, tert-butyl (S)-(3-oxo-1-phenylpropyl)carbamate, (S)-beta-(tert-Butoxycarbonylamino)benzenepropanal, 865B780, tert-Butyl [(1S)-3-oxo-1-phenylpropyl]carbamate, I01-7410, (S)-(3-Oxo-1-phenylpropyl)carbamic Acid 1,1-Dimethylethyl Ester, (s)-tert-butyl 3-oxo-1-phenylpropylcarbamate (maraviroc intermediates), N-[(1S)-3-Oxo-1-phenylpropyl]-carbamic Acid 1,1-Dimethylethyl Ester, Boc-(S)-3-Amino-3-phenylpropanal; N-Boc-(3S)-3-phenyl-3-aminopropionaldehyde, C14H19NO3, CS-T-49546, CID11817535, -tert-butyl3-oxo-1-phenylpropylcarbamate, (S)-tert-butyl 3-oxo-1-phenyl propyl carbamate,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	249.136g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	249.31g/mol
Monoisotopic Mass	249.136g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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