Benzyl [2-(1H-imidazol-5-yl)ethyl]carbamate
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Basic information
- CAS
74058-75-6- Standard SMILES
O=C(NCCc1cnc[nH]1)OCc1ccccc1- InChIKey
PZYMWDPVQFBCDD-UHFFFAOYSA-N- Molecular formula
- C13H15N3O2
- Average molar mass
- 245.28 g/mol
- Monoisotopic mass
- 245.11642673
Names & identifiers
- Preferred name
- Benzyl [2-(1H-imidazol-5-yl)ethyl]carbamate
- IUPAC
- benzyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate
- English name
- BENZYL [2-(1H-IMIDAZOL-4-YL)ETHYL]CARBAMATE
- Molecular formula
- C13H15N3O2
- Molecular weight
- 245.28
Names & synonyms
74058-75-6Benzyl [2-(1H-imidazol-5-yl)ethyl]carbamatebenzyl N-[2-(1H-imidazol-5-yl)ethyl]carbamateBenzyl (2-(1H-imidazol-4-yl)ethyl)carbamateCarbamic acid, [2-(1H-imidazol-4-yl)ethyl]-, phenylmethyl esterBENZYL [2-(1H-IMIDAZOL-4-YL)ETHYL]CARBAMATESCHEMBL6663264DTXSID80621479AKOS014566036AB60212[2-(1H-Imidazol-4-yl)ethyl]-carbamic Acid Phenylmethyl EsterN-Carboxybenzyl HistaMine
Show more names
Carbamic acid, [2-(1H-imidazol-4-yl)ethyl]-, phenylmethyl ester (9CI)
Database identifiers
- CAS
74058-75-6- PubChem CID
- 22011776
- DTXSID
DTXSID80621479- Nikkaji
- J2.376.026F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Melting point
- 190 °C · 190 °C
- Boiling point
- 522.2 · 522.2±43.0 °C(Predicted)
- Density
- 1.227 · 1.227±0.06 g/cm3(Predicted)
- solubility
- Methanol
- form
- Solid
- pka
- 12.25 · 12.25±0.46(Predicted)
- color
- Off-white
Chemistry & industry
Applications
UsesProtected Histamine (H436500).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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