| CAS Number | 1956324-43-8 |
| Catalog Number | AG00I3F4(AGN-PC-0WNGLC) |
| Chemical Name | 3-Amino-3-(3-methoxyphenyl)propanenitrile hydrochloride |
| IUPAC Name | 3-amino-3-(3-methoxyphenyl)propanenitrile;hydrochloride |
| InChI | InChI=1S/C10H12N2O.ClH/c1-13-9-4-2-3-8(7-9)10(12)5-6-11;/h2-4,7,10H,5,12H2,1H3;1H |
| InChI Key | UDHBQMQFOCYPHS-UHFFFAOYSA-N |
| MDL Number | MFCD30180244 |
| Molecular Formula | C10H13ClN2O |
| Molecular Weight | 212.6760 |
| SMILES | N#CCC(N)C1=CC=CC(OC)=C1.[H]Cl |
| Synonyms | 3-Amino-3-(3-methoxyphenyl)propanenitrile hydrochloride,
1956324-43-8,
AK486772,
KS-00000M5Z,
MFCD30180244,
DS-18943,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.677g/mol |
| Monoisotopic Mass | 212.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59A^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