Basic information
- CAS
1353979-70-0- Standard SMILES
CCN(CCN)C1CCCCC1NC(=O)OCc1ccccc1- InChIKey
YSOSCHBSMBUYLH-UHFFFAOYSA-N- Molecular formula
- C18H29N3O2
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.22597718
Names & identifiers
- Preferred name
- {2-[(2-Amino-ethyl)-ethyl-amino]-cyclohexyl}-carbamic acid benzyl ester
- IUPAC
- benzyl N-[2-[2-aminoethyl(ethyl)amino]cyclohexyl]carbamate
- English name
- {2-[(2-AMino-ethyl)-ethyl-aMino]-cyclohexyl}-carbaMic acid benzyl ester
- Molecular formula
- C18H29N3O2
- Molecular weight
- 319.44176
Names & synonyms
1353979-70-0{2-[(2-Amino-ethyl)-ethyl-amino]-cyclohexyl}-carbamic acid benzyl esterBenzyl (2-((2-aminoethyl)(ethyl)amino)cyclohexyl)carbamatebenzyl N-[2-[2-aminoethyl(ethyl)amino]cyclohexyl]carbamateBenzyl {2-[(2-aminoethyl)(ethyl)amino]cyclohexyl}carbamateDTXSID301137097DB-249561Benzyl(2-((2-aminoethyl)(ethyl)amino)cyclohexyl)carbamateCarbamic acid, N-[2-[(2-aminoethyl)ethylamino]cyclohexyl]-, phenylmethyl ester
Database identifiers
- CAS
1353979-70-0- PubChem CID
- 66564355
- DTXSID
DTXSID301137097
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Boiling point
- 471 · 471.0±45.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 12.05 · 12.05±0.40(Predicted)
Chemistry & industry
Suppliers1 total
江阴安博生物医药有限公司086-010-62176588 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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