Basic information
- CAS
3164-73-6- Standard SMILES
O=[N+]([O-])CC1(O)CCCCC1- InChIKey
WYXVEDWVPJRBJM-UHFFFAOYSA-N- Molecular formula
- C7H13NO3
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.08954328
Names & identifiers
- Preferred name
- 1-(Nitromethyl)cyclohexanol
- IUPAC
- 1-(nitromethyl)cyclohexan-1-ol
- English name
- 1-Nitromethylcyclohexanol
- Molecular formula
- C7H13NO3
- Molecular weight
- 159.18
Names & synonyms
3164-73-61-(Nitromethyl)cyclohexanolDTXSID00185528RefChem:1054728DTXCID401080191-Nitromethyl-1-cyclohexanol1-(nitromethyl)cyclohexan-1-ol1-nitromethylcyclohexanolMFCD000213991-(Nitromethyl)-cyclohexanolCyclohexanol,1-(nitromethyl)-NSC404582
Show more names
TIMTEC-BB SBB007771Cyclohexanol, 1-(nitromethyl)-
SCHEMBL11651593WYXVEDWVPJRBJM-UHFFFAOYSA-N1-(nitro-methyl)-cyclohexan-1-olSBB007771AKOS006274801NSC 404582NSC-404582DB-068498
Database identifiers
- CAS
3164-73-6- PubChem CID
- 137845
- DTXSID
DTXSID00185528- Nikkaji
- J410.613J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 146
Chemistry & industry
Applications
UsesUsed as Intermediate of guanethidine.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers5 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
泰州葛林美克医药科技有限公司15366892466
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
商丘市建盟新能源科技有限公司19711218988 18238092829 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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