| CAS Number | 1041016-94-7 |
| Catalog Number | AG0092BO |
| Chemical Name | (S)-(2-Amino-2-phenyl-ethyl)-carbamic acid benzyl ester hydrochloride |
| IUPAC Name | benzyl N-[(2S)-2-amino-2-phenylethyl]carbamate;hydrochloride |
| InChI | InChI=1S/C16H18N2O2.ClH/c17-15(14-9-5-2-6-10-14)11-18-16(19)20-12-13-7-3-1-4-8-13;/h1-10,15H,11-12,17H2,(H,18,19);1H/t15-;/m1./s1 |
| InChI Key | NNEWKYXUALWCHN-XFULWGLBSA-N |
| MDL Number | MFCD11849125 |
| Molecular Formula | C16H19ClN2O2 |
| Molecular Weight | 306.7873 |
| SMILES | Cl.C(C1=CC=CC=C1)OC(NC[C@H](C1=CC=CC=C1)N)=O |
| Synonyms | 1041016-94-7,
(S)-(2-Amino-2-phenyl-ethyl)-carbamic acid benzyl ester hydrochloride,
benzyl (S)-(2-amino-2-phenylethyl)carbamate hydrochloride,
9070AH,
MFCD11849125,
NE63367,
CS-0060542,
(S)-Benzyl (2-amino-2-phenylethyl)carbamate hydrochloride,
benzyl N-[(2S)-2-amino-2-phenylethyl]carbamate hydrochloride,
N-[(2S)-2-AMINO-2-PHENYLETHYL]-CARBAMIC ACID PHENYLMETHYL ESTER HYDROCHLORIDE,
C16H18N2O2.HCl,
(S)-N-Cbz-2-amino-2-phenylethylamine HCl,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.79g/mol |
| Monoisotopic Mass | 306.114g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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