Cas no 85600-11-9 ( )
structure
Product Name:
CAS No:85600-11-9
MF:C15H18N2O2
MW:258.315623760223
CID:990747
PubChem ID:230053
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- benzylcarbamic acid,phenylmethanamine
- CCG-38107
- benzylcarbamic acid compound with benzylamine (1:1)
- NSC24515
- NCI24515
- NCGC00013311
- NSC-24515
- CHEMBL1374501
- 85600-11-9
- NCGC00096428-01
- DTXSID60282108
- NCI60_001960
- NCGC00013311-02
- SCHEMBL25357749
-
-
- Inchi： 1S/C8H9NO2.C7H9N/c10-8(11)9-6-7-4-2-1-3-5-7;8-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11);1-5H,6,8H2
- InChI Key： CGABNMAUJREYGO-UHFFFAOYSA-N
- SMILES： OC(NCC1C=CC=CC=1)=O.NCC1C=CC=CC=1
Computed Properties
- Exact Mass: 258.137
- Monoisotopic Mass: 258.137
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 186
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 75.4?2
Experimental Properties
- Boiling Point: 457.9°C at 760 mmHg
- Flash Point: 230.7°C
Related Literature
-
Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
-
Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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