| CAS Number | 178933-04-5 |
| Catalog Number | AG0026HO(AGN-PC-0QBG9Q) |
| Chemical Name | 4-Pyridinepropanoic acid, α-amino-, dihydrochloride, (αS)- (9CI) |
| IUPAC Name | (2S)-2-amino-3-pyridin-4-ylpropanoic acid;dihydrochloride |
| InChI | InChI=1S/C8H10N2O2.2ClH/c9-7(8(11)12)5-6-1-3-10-4-2-6;;/h1-4,7H,5,9H2,(H,11,12);2*1H/t7-;;/m0../s1 |
| InChI Key | NAMMTAFKUFJMSD-KLXURFKVSA-N |
| MDL Number | MFCD13184932 |
| Molecular Formula | C8H12Cl2N2O2 |
| Molecular Weight | 239.0991 |
| SMILES | Cl.Cl.N[C@H](C(=O)O)CC1=CC=NC=C1 |
| Synonyms | 178933-04-5,
(S)-2-Amino-3-(pyridin-4-yl)propanoic acid dihydrochloride,
3-(4-Pyridyl)-L-alanine Dihydrochloride,
MFCD13184932,
H-D-Ala(4-pyridyl)-OH.2Hcl,
AK-49504,
3-(4-Pyridyl)-alanine,
SCHEMBL7327198,
CTK8C4935,
KS-00000KYS,
DTXSID70609342,
ANW-73548,
AKOS016007699,
DS-15057,
AX8040366,
TC-162293,
CS-0041637,
P2136,
3-Pyridin-4-yl-L-alanine--hydrogen chloride (1/2),
(S)-2-AMINO-3-(PYRIDIN-4-YL)PROPANOIC ACID 2HCL,
(S)-2-Amino-3-(pyridin-4-yl)propanoicaciddihydrochloride,
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| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.096g/mol |
| Monoisotopic Mass | 238.028g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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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