| CAS Number | 1810070-01-9 |
| Catalog Number | AG0022K9(AGN-PC-0WAMAH) |
| Chemical Name | 4-Amino-4-(4-methylphenyl)butanoic acid-hcl |
| IUPAC Name | 4-amino-4-(4-methylphenyl)butanoic acid;hydrochloride |
| InChI | InChI=1S/C11H15NO2.ClH/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14;/h2-5,10H,6-7,12H2,1H3,(H,13,14);1H |
| InChI Key | UEXGINOZWJGYAC-UHFFFAOYSA-N |
| MDL Number | MFCD28986164 |
| Molecular Formula | C11H16ClNO2 |
| Molecular Weight | 229.7032 |
| SMILES | O=C(O)CCC(N)C1=CC=C(C)C=C1.[H]Cl |
| Synonyms | 4-Amino-4-(p-tolyl)butanoic acid hydrochloride,
1810070-01-9,
4-Amino-4-(4-methylphenyl)butanoic acid-HCl,
4-AMINO-4-(4-METHYLPHENYL)BUTANOIC ACID HCl,
4-amino-4-p-tolylbutanoic acid hydrochloride,
MFCD28986164,
AKOS025395789,
DS-8158,
KS-00000T18,
AK172750,
AX8297045,
4-amino-4-(4-methylphenyl)butanoic acid;hydrochloride,
Benzenebutanoic acid, gamma-amino-4-methyl-, hydrochloride (1:1),
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.704g/mol |
| Monoisotopic Mass | 229.087g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| 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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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