Cas no 14209-67-7 (Benzoic acid,4-(aminoiminomethyl)-, phenylmethyl ester)
14209-67-7 structure
Product Name:Benzoic acid,4-(aminoiminomethyl)-, phenylmethyl ester
CAS No:14209-67-7
MF:C15H14N2O2
MW:254.283863544464
CID:173486
PubChem ID:26569
Update Time:2025-04-19
Benzoic acid,4-(aminoiminomethyl)-, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-(aminoiminomethyl)-, phenylmethyl ester
- benzyl 4-carbamimidoylbenzoate
- p-Amidinobenzoic acid benzyl ester
- Benzyl 4-amidinobenzoate
- 4-09-00-03332 (Beilstein Handbook Reference)
- 14209-67-7
- BENZOIC ACID, p-AMIDINO-, BENZYL ESTER
- DTXSID80161941
- BRN 2589304
- Benzoic acid, 4-(aminoiminomethyl)-, phenylmethyl ester
- SCHEMBL8173802
- 4-Amidinobenzoic acid benzyl ester
-
- Inchi： 1S/C15H14N2O2/c16-14(17)12-6-8-13(9-7-12)15(18)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H3,16,17)
- InChI Key： WGYXJBNWUHLUEU-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(C(=N)N)=CC=1)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 254.10562
- Monoisotopic Mass: 254.105528
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 316
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 76.2
Experimental Properties
- Density: 1.18
- Boiling Point: 414.4°Cat760mmHg
- Flash Point: 204.4°C
- Refractive Index: 1.592
- PSA: 76.17
Benzoic acid,4-(aminoiminomethyl)-, phenylmethyl ester Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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