| CAS Number | 176035-15-7 |
| Catalog Number | AG0021DB(AGN-PC-001CFJ) |
| Chemical Name | Benzenepropanol, β-amino-4-methoxy- |
| IUPAC Name | 2-amino-3-(4-methoxyphenyl)propan-1-ol |
| InChI | InChI=1S/C10H15NO2/c1-13-10-4-2-8(3-5-10)6-9(11)7-12/h2-5,9,12H,6-7,11H2,1H3 |
| InChI Key | GVLHBFBFUSPHJO-UHFFFAOYSA-N |
| MDL Number | MFCD10034617 |
| Molecular Formula | C10H15NO2 |
| Molecular Weight | 181.2316 |
| SMILES | OCC(N)CC1=CC=C(OC)C=C1 |
| Synonyms | 2-amino-3-(4-methoxyphenyl)propan-1-ol,
176035-15-7,
2-amino-3-(4-methoxyphenyl)-1-propanol,
AK158853,
(S)-2-amino-3-(4-methoxyphenyl)propan-1-ol,
SCHEMBL334385,
KS-00000SHA,
MFCD10034617,
AKOS006305269,
Benzenepropanol, beta-amino-4-methoxy-,
DS-9399,
BBV-38317704,
2-amino-3-(4-methoxyphenyl)-propan-1-ol,
AX8292470,
ST2404112,
b-Amino-4-methoxybenzenepropanol,
20989-19-9,
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| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.235g/mol |
| Monoisotopic Mass | 181.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338-P310
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UN Code
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Certificate of Analysis
Lot Number