Basic information
- CAS
14209-67-7- Standard SMILES
N=C(N)c1ccc(C(=O)OCc2ccccc2)cc1- InChIKey
WGYXJBNWUHLUEU-UHFFFAOYSA-N- Molecular formula
- C15H14N2O2
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.10552769
Names & identifiers
- Preferred name
- Phenylmethyl 4-(aminoiminomethyl)benzoate
- IUPAC
- benzyl 4-carbamimidoylbenzoate
Names & synonyms
BENZOIC ACID, p-AMIDINO-, BENZYL ESTER14209-67-7DTXSID80161941RefChem:1095049DTXCID0084432Phenylmethyl 4-(aminoiminomethyl)benzoatep-Amidinobenzoic acid benzyl esterBenzyl 4-amidinobenzoatebenzyl 4-carbamimidoylbenzoate4-Amidinobenzoic acid benzyl esterBRN 2589304Benzoic acid, 4-(aminoiminomethyl)-, phenylmethyl ester
Show more names
4-09-00-03332 (Beilstein Handbook Reference)SCHEMBL8173802
Database identifiers
- CAS
14209-67-7- PubChem CID
- 26569
- DTXSID
DTXSID80161941- Nikkaji
- J76.308J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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