| CAS Number | 400746-92-1 |
| Catalog Number | AG00C5RJ(AGN-PC-0WB42O) |
| Chemical Name | N-methyl-1-(1-phenyl-1H-tetrazol-5-yl)cyclohexanamine |
| IUPAC Name | N-methyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine |
| InChI | InChI=1S/C14H19N5/c1-15-14(10-6-3-7-11-14)13-16-17-18-19(13)12-8-4-2-5-9-12/h2,4-5,8-9,15H,3,6-7,10-11H2,1H3 |
| InChI Key | JHKJQNQWOPHABW-UHFFFAOYSA-N |
| MDL Number | MFCD01821139 |
| Molecular Formula | C14H19N5 |
| Molecular Weight | 257.3342 |
| SMILES | C1(C2(CCCCC2)NC)=NN=NN1C1C=CC=CC=1 |
| Synonyms | 400746-92-1,
N-methyl-1-(1-phenyl-1H-tetrazol-5-yl)cyclohexanamine,
CHEMBRDG-BB 4100004,
STK032258,
AC1NR44B,
N-methyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine,
CTK4I2403,
DTXSID80412021,
HMS3532G20,
ZINC4604049,
ZX-CM014185,
MFCD01821139,
AKOS005381226,
MCULE-7030112001,
ACM400746921,
W-8656,
N-Methyl-1-(1-phenyl-1H-tetraazol-5-yl)cyclohexanamine, AldrichCPR,
CHEMBRDG-BB4100004,
CID5234150,
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| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.341g/mol |
| Monoisotopic Mass | 257.164g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number