| CAS Number | 137452-49-4 |
| Catalog Number | AG009HE6(AGN-PC-0O1D2T) |
| Chemical Name | N-BOC-4-(Aminomethyl)-L-phenylalanine |
| IUPAC Name | (2S)-3-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI | InChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)8-10-4-6-11(9-16)7-5-10/h4-7,12H,8-9,16H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1 |
| InChI Key | SRHQPVLBHXDZGC-LBPRGKRZSA-N |
| MDL Number | MFCD01318277 |
| Molecular Formula | C15H22N2O4 |
| Molecular Weight | 294.3462 |
| SMILES | C1(C=CC(CN)=CC=1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C |
| Synonyms | 137452-49-4,
(2S)-3-[4-(AMINOMETHYL)PHENYL]-2-[(TERT-BUTOXY)CARBONYLAMINO]PROPANOIC ACID,
Boc-4-(aminomethyl)-L-phenylalanine,
L-Phenylalanine, 4-(aminomethyl)-N-[(1,1-dimethylethoxy)carbonyl]-,
SCHEMBL1009069,
CTK0B9100,
ZINC2244238,
4233AH,
AKOS025404095,
N-BOC-4-(Aminomethyl)-L-phenylalanine,
AK186494,
K-4434,
J-007024,
C15H22N2O4,
(2S)-3-[4-(aminomethyl)phenyl]-2-[(tert-butoxycarbonyl)amino,
(2S)-3-[4-(aminomethyl)phenyl]-2-[(tert-butoxycarbonyl)amino]propanoic acid,
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| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.351g/mol |
| Monoisotopic Mass | 294.158g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number