Basic information
- CAS
103500-23-8- Standard SMILES
O=CC1(NC(=O)OCc2ccccc2)CC1- InChIKey
VQLUEONQFAZVQG-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.08954328
Names & identifiers
- Preferred name
- Benzyl (1-formylcyclopropyl)carbamate
- IUPAC
- benzyl N-(1-formylcyclopropyl)carbamate
- English name
- benzyl 1-formylcyclopropylcarbamate
- Molecular formula
- C12H13NO3
- Molecular weight
- 219.24
Names & synonyms
BENZYL (1-FORMYLCYCLOPROPYL)CARBAMATE103500-23-8benzyl N-(1-formylcyclopropyl)carbamateSCHEMBL2715395SCHEMBL10556366VQLUEONQFAZVQG-UHFFFAOYSA-Nbenzyl 1-formylcyclopropylcarbamateDTXSID401251800benzyl (l-formylcyclopropyl)carbamateMFCD205277311-(Cbz-amino)cyclopropanecarbaldehydeAKOS027253336
Show more names
Carbamic acid, N-(1-formylcyclopropyl)-, phenylmethyl ester
DA-16085SY335855BENZYL(1-FORMYLCYCLOPROPYL)CARBAMATECS-0380552Phenylmethyl N-(1-formylcyclopropyl)carbamateF2147-6713
Database identifiers
- CAS
103500-23-8- PubChem CID
- 54500481
- DTXSID
DTXSID401251800
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Boiling point
- 380.3 · 380.3±31.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 10.67 · 10.67±0.20(Predicted)
Chemistry & industry
Suppliers6 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
Related reactions
5 records
Compound notes
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