Basic information
- CAS
78-28-4- Standard SMILES
CCC(C)(CC)OC(N)=O- InChIKey
SLWGJZPKHAXZQL-UHFFFAOYSA-N- Molecular formula
- C7H15NO2
- Average molar mass
- 145.2 g/mol
- Monoisotopic mass
- 145.11027872
Overview
Emylcamate is a carbamate ester.
Names & identifiers
- Preferred name
- Emylcamate
- IUPAC
- 3-methylpentan-3-yl carbamate
- English name
- emylcamate
- Molecular formula
- C7H15NO2
- Molecular weight
- 145.2
Names & synonyms
Emylcamate78-28-43-methylpentan-3-yl carbamateEmilcamatoKABI-9253-Methyl-3-pentanol carbamateMK-250EmylcamatumKABI 925NSC-169882KCJ747D3R4DTXSID40228645
Show more names
JD 91Restetal
RefChem:136733DTXCID90151136N05BC03201-101-4EmylcamatNuncitalStriatranStatran
Database identifiers
- CAS
78-28-4- PubChem CID
- 6526
- DTXSID
DTXSID40228645- ChEMBL
CHEMBL2104208- ChEBI
CHEBI:134769- UNII
- KCJ747D3R4
- EC Number
- 201-101-4
- Nikkaji
- J4.219F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 119
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Depressants and Tranquilizers
Physicochemical properties
- Melting point
- 56 · 56-58.5°
- Boiling point
- 1 · bp1.0 35°; bp0.7 24°
- Density
- 0.9441 · 0.9441 (estimate)
- refractive index
- 1.4206 · 1.4206 (estimate)
- pka
- 13.54 · 13.54±0.50(Predicted)
- Henry's Law Constant
- 3 · 3.0×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- CAS DataBase Reference
- 78 · 78-28-4
- FDA UNII
- 747 D3R4 · KCJ747D3R4
- ATC code
- 5 BC03 · N05BC03
- Toxicity
- 50 oral · LD50 oral in mouse: 760mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 oral in mouse: 760mg/kg
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system
QN - Nervous system
Applications
UsesEmylcamate is used in combination with compounds that influence brain function and or psychological state to treat herpes virus infection and outbreaks.
Upstream & downstream products
Upstream raw materials
Suppliers22 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
安徽勇晟医药科技有限公司3307 18017383231 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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