| CAS Number | 3913-98-2 |
| Catalog Number | AG00C90M(AGN-PC-0WB5XW) |
| Chemical Name | (1-Methylcyclohexyl)methanamine |
| IUPAC Name | (1-methylcyclohexyl)methanamine |
| InChI | InChI=1S/C8H17N/c1-8(7-9)5-3-2-4-6-8/h2-7,9H2,1H3 |
| InChI Key | GFTCKTJDXXDHLH-UHFFFAOYSA-N |
| MDL Number | MFCD09607978 |
| Molecular Formula | C8H17N |
| Molecular Weight | 127.2273 |
| SMILES | C1(CCCCC1)(C)CN |
| Synonyms | (1-methylcyclohexyl)methanamine,
3913-98-2,
1-(1-methylcyclohexyl)methanamine,
1-Aminomethyl-1-methylcyclohexane,
1-Methyl-cyclohexylmethylamin,
AC1Q2CYP,
SCHEMBL92576,
DTXSID90619584,
MFCD09607978,
ZINC26896291,
AKOS012032476,
MCULE-1723013704,
AJ-83015,
AM803830,
BS-13120,
1-(1-Methylcyclohexyl)methanamine, AldrichCPR,
A67269,
Y-5295,
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| Complexity | 82.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.231g/mol |
| Monoisotopic Mass | 127.136g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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