| CAS Number | 886366-43-4 |
| Catalog Number | AG0049LB(AGN-PC-0VMVH9) |
| Chemical Name | methyl 2-n-boc-2-aminomethyl-3-(4-chloro-phenyl)-propionate |
| IUPAC Name | methyl 2-[(4-chlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate |
| InChI | InChI=1S/C16H22ClNO4/c1-16(2,3)22-15(20)18-10-12(14(19)21-4)9-11-5-7-13(17)8-6-11/h5-8,12H,9-10H2,1-4H3,(H,18,20) |
| InChI Key | BHWDPWQAZJLFEX-UHFFFAOYSA-N |
| MDL Number | MFCD08061214 |
| Molecular Formula | C16H22ClNO4 |
| Molecular Weight | 327.8032 |
| SMILES | ClC1C=CC(=CC=1)CC(CNC(=O)OC(C)(C)C)C(=O)OC |
| Synonyms | 886366-43-4,
Methyl 2-N-Boc-2-aminomethyl-3-(4-chloro-phenyl)-propionate,
Methyl 3-((tert-butoxycarbonyl)amino)-2-(4-chlorobenzyl)propanoate,
2-(tert-butoxycarbonylamino-methyl)-3-(4-chloro-phenyl)-propionic acid methyl ester,
methyl 2-[(4-chlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate,
SCHEMBL3665503,
CTK8E8617,
DTXSID70661465,
BHWDPWQAZJLFEX-UHFFFAOYSA-N,
MFCD08061214,
AKOS022171968,
AS-38038,
AX8138353,
RT-013763,
A-2217,
A842781,
methyl 3-(tert-butoxycarbonylamino)-2-(4-chlorobenzyl)propanoate,
Methyl 2-{[(tert-butoxycarbonyl)amino]methyl}-3-(4-chlorophenyl)propanoate,
2-[(4-chlorophenyl)methyl]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester,
Methyl 2-N-Boc-2-aminomethyl-3-(4-chlorophenyl)propionate,
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| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.805g/mol |
| Monoisotopic Mass | 327.124g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number