| CAS Number | 1616809-52-9 |
| Catalog Number | AG001VSD(AGN-PC-0WANFR) |
| Chemical Name | 2-Pyrimidinemethanamine, α-methyl-, hydrochloride (1:1) |
| IUPAC Name | 1-pyrimidin-2-ylethanamine;hydrochloride |
| InChI | InChI=1S/C6H9N3.ClH/c1-5(7)6-8-3-2-4-9-6;/h2-5H,7H2,1H3;1H |
| InChI Key | YSFPQOISZUZLBH-UHFFFAOYSA-N |
| MDL Number | MFCD27922039 |
| Molecular Formula | C6H10ClN3 |
| Molecular Weight | 159.6167 |
| SMILES | Cl.N1=C(N=CC=C1)C(C)N |
| Synonyms | 1-(Pyrimidin-2-yl)ethanamine hydrochloride,
1616809-52-9,
(S)-1-(Pyrimidin-2-yl)ethanamine hydrochloride,
AK162973,
1-(pyrimidin-2-yl)ethan-1-amine hydrochloride,
1-pyrimidin-2yl-ethylamine HCl,
SCHEMBL15157714,
KS-00000SNU,
YSFPQOISZUZLBH-UHFFFAOYSA-N,
MFCD27922039,
AKOS024462746,
CS-W021261,
DS-7935,
1-pyrimidin-2-ylethanamine;hydrochloride,
1-pyrimidin-2-yl-ethylamine hydrochloride,
2-Pyrimidinemethanamine, alpha-methyl-, hydrochloride (1:1),
N/A,
|
| Complexity | 78.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.617g/mol |
| Monoisotopic Mass | 159.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.8A^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