2-(Pyrrolidin-1-yl)ethyl hydrogen (1-phenylethyl)carbonimidate--hydrogen chloride (1/1)
Basic information
- CAS
100836-55-3- Standard SMILES
CC(NC(=O)OCC[NH+]1CCCC1)c1ccccc1.[Cl-]- InChIKey
CGEWOWZPTQPWEO-UHFFFAOYSA-N- Molecular formula
- C15H23ClN2O2
- Average molar mass
- 298.81 g/mol
- Monoisotopic mass
- 298.1448057
Names & identifiers
- Preferred name
- 2-(Pyrrolidin-1-yl)ethyl hydrogen (1-phenylethyl)carbonimidate--hydrogen chloride (1/1)
- IUPAC
- 2-pyrrolidin-1-ium-1-ylethyl N-(1-phenylethyl)carbamate chloride
Names & synonyms
100836-55-3DTXSID509057782-(Pyrrolidin-1-yl)ethyl hydrogen (1-phenylethyl)carbonimidate--hydrogen chloride (1/1)RefChem:1062057DTXCID7013348792-(Pyrrolidinyl)ethyl (alpha-methylbenzyl)carbamate hydrochlorideCarbamic acid, (1-phenylethyl)-, 2-(pyrrolidinyl)ethyl ester, hydrochlorideCarbamic acid, (alpha-methylbenzyl)-, 2-(pyrrolidinyl)ethyl ester, monohydrochloride2-pyrrolidin-1-ium-1-ylethyl N-(1-phenylethyl)carbamate;chlorideCarbamic acid, (1-phenylethyl)-, 2-(pyrrolidinyl)ethyl ester, hydrochl oride
Database identifiers
- CAS
100836-55-3- PubChem CID
- 58040
Properties
Computed structural properties
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 271
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Compound notes
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