| CAS Number | 164648-48-0 |
| Catalog Number | AG019KHD(AGN-PC-00UXR0) |
| Chemical Name | [4-(Aminomethyl)Phenyl]Urea |
| IUPAC Name | [4-(aminomethyl)phenyl]urea |
| InChI | InChI=1S/C8H11N3O/c9-5-6-1-3-7(4-2-6)11-8(10)12/h1-4H,5,9H2,(H3,10,11,12) |
| InChI Key | NTXHODRGDRNTNY-UHFFFAOYSA-N |
| MDL Number | MFCD08445017 |
| Molecular Formula | C8H11N3O |
| Molecular Weight | 165.1924 |
| SMILES | NCC1=CC=C(NC(N)=O)C=C1 |
| Synonyms | [4-(aminomethyl)phenyl]urea,
N-[4-(aminomethyl)phenyl]urea,
164648-48-0,
AC1Q53Z9,
SCHEMBL8530522,
1-(4-(aminomethyl)phenyl)urea,
CTK7E4870,
ZINC12505322,
AKOS000200757,
MCULE-9543999073,
NE24048,
NCGC00333560-01,
N-[4-(aminomethyl)phenyl]urea, AldrichCPR,
EN300-26938,
AB01329313-02,
Z228589054,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.196g/mol |
| Monoisotopic Mass | 165.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number