| CAS Number | 344405-51-2 |
| Catalog Number | AG00BXZG(AGN-PC-0R9T68) |
| Chemical Name | Benzenamine,4-(1-azetidinyl)- |
| IUPAC Name | 4-(azetidin-1-yl)aniline |
| InChI | InChI=1S/C9H12N2/c10-8-2-4-9(5-3-8)11-6-1-7-11/h2-5H,1,6-7,10H2 |
| InChI Key | UWVKFAPNLNOQOF-UHFFFAOYSA-N |
| MDL Number | MFCD09263794 |
| Molecular Formula | C9H12N2 |
| Molecular Weight | 148.2050 |
| SMILES | NC1=CC=C(N2CCC2)C=C1 |
| Synonyms | 4-(azetidin-1-yl)aniline,
344405-51-2,
4-(1-Azetidinyl)aniline,
4-(1-Azetidinyl)-benzeneamine,
SCHEMBL1858354,
Benzenamine, 4-(1-azetidinyl)-,
UWVKFAPNLNOQOF-UHFFFAOYSA-N,
MFCD09263794,
ZINC78675877,
AKOS006329943,
BENZENAMINE,4-(1-AZETIDINYL)-,
Benzenamine, 4-(1-azetidinyl)- (9CI),
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| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.209g/mol |
| Monoisotopic Mass | 148.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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