| CAS Number | 600725-12-0 |
| Catalog Number | AG01A9II(AGN-PC-037LN6) |
| Chemical Name | 1-N-(1-Methylpiperidin-4-yl)benzene-1,2-diamine |
| IUPAC Name | 2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine |
| InChI | InChI=1S/C12H19N3/c1-15-8-6-10(7-9-15)14-12-5-3-2-4-11(12)13/h2-5,10,14H,6-9,13H2,1H3 |
| InChI Key | ZXONFSGVQZHXDB-UHFFFAOYSA-N |
| MDL Number | MFCD12167299 |
| Molecular Formula | C12H19N3 |
| Molecular Weight | 205.2994 |
| SMILES | CN1CCC(NC2=C(N)C=CC=C2)CC1 |
| Synonyms | 1-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine,
600725-12-0,
N1-(1-methylpiperidin-4-yl)benzene-1,2-diamine,
n-(1-methyl-piperidin-4-yl)-benzene-1,2-diamine,
AC1Q3ZN2,
SCHEMBL3874069,
ZINC37267298,
AKOS009465831,
NE20377,
EN300-65195,
F8880-3917,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.305g/mol |
| Monoisotopic Mass | 205.158g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number