Basic information
- CAS
4248-20-8- Standard SMILES
CCCCCCCOC(N)=O- InChIKey
AXMPFOXRWZXZFA-UHFFFAOYSA-N- Molecular formula
- C8H17NO2
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.12592878
Names & identifiers
- Preferred name
- Heptyl carbamate
- IUPAC
- heptyl carbamate
- English name
- HEPTYLCARBAMATE
- Molecular formula
- C8H16NO2-
- Molecular weight
- 158.21814
Names & synonyms
heptyl carbamate4248-20-8O-Heptyl carbamateheptylcarbamateCarbamic acid, heptyl esterNSC-31195NSC311951-Heptanol, carbamaten-hexylmonomethyl carbamateSCHEMBL473280SCHEMBL1170322WML584NS54
Show more names
CHEMBL3277153DTXSID30879266EAA24820NSC 31195DS-002536EN300-315281
Database identifiers
- CAS
4248-20-8- PubChem CID
- 233104
- DTXSID
DTXSID30879266- ChEMBL
CHEMBL3277153- UNII
- WML584NS54
- Nikkaji
- J1.583.927I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 104
Experimental & physicochemical properties
LogP2.36
Physicochemical properties
- Melting point
- 66 °C · 66°C
- Boiling point
- 284.73 °C · 284.73°C (rough estimate)
- Density
- 1.0469 · 1.0469 (rough estimate)
- refractive index
- 1.4476 · 1.4476 (estimate)
- Water Solubility
- 382.2 mg/L · 382.2mg/L(37 ºC)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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