(4-Acetamidocyclohexyl) nitrate
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Basic information
- CAS
137213-91-3- Standard SMILES
CC(=O)NC1CCC(O[N+](=O)[O-])CC1- InChIKey
ZGGZZKIXIOEJCM-UHFFFAOYSA-N- Molecular formula
- C8H14N2O4
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.09535693
Names & identifiers
- Preferred name
- (4-Acetamidocyclohexyl) nitrate
- IUPAC
- (4-acetamidocyclohexyl) nitrate
- English name
- (4-acetamidocyclohexyl) nitrate
- Molecular formula
- C8H14N2O4
- Molecular weight
- 202.21
Names & synonyms
(4-acetamidocyclohexyl) nitrate137213-91-3BM121307BM 121307Acetamide, N-(trans-4-(nitrooxy)cyclohexyl)-Acetamide, N-[trans-4-(nitrooxy)cyclohexyl]-trans-N-(4-Nitroxycyclohexyl)acetamideorb1710241SCHEMBL6439306SCHEMBL6439317DTXSID10929738ZGGZZKIXIOEJCM-ZKCHVHJHSA-N
Show more names
(4Acetamidocyclohexyl) nitrate,(4 Acetamidocyclohexyl) nitrate
MFA21391AKOS040732616trans-N-acetyl-4-nitroxycyclohexylamineDA-61755HY-100295N-[4-(Nitrooxy)cyclohexyl]ethanimidic acidCS-0018447T10562
Database identifiers
- CAS
137213-91-3- PubChem CID
- 178390
- DTXSID
DTXSID10929738- Nikkaji
- J604.045D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 378.8 · 378.8±22.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 15.48 · 15.48±0.40(Predicted)
Chemistry & industry
Applications
Uses(4-Acetamidocyclohexyl) nitrate (BM121307) is a guanylate cyclase activator.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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