| CAS Number | 1040083-67-7 |
| Catalog Number | AG019VEY |
| Chemical Name | 4-chloro-N1-propylbenzene-1,2-diamine |
| IUPAC Name | 4-chloro-1-N-propylbenzene-1,2-diamine |
| InChI | InChI=1S/C9H13ClN2/c1-2-5-12-9-4-3-7(10)6-8(9)11/h3-4,6,12H,2,5,11H2,1H3 |
| InChI Key | SBQPFRUZBQHVFW-UHFFFAOYSA-N |
| MDL Number | MFCD11186901 |
| Molecular Formula | C9H13ClN2 |
| Molecular Weight | 184.6659 |
| SMILES | CCCNC1=C(N)C=C(Cl)C=C1 |
| Synonyms | 4-chloro-1-N-propylbenzene-1,2-diamine,
4-chloro-N1-propylbenzene-1,2-diamine,
1040083-67-7,
ZINC20381483,
AKOS009237915,
MCULE-7568848841,
NE15076,
EN300-45062,
Z1259162126,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.667g/mol |
| Monoisotopic Mass | 184.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number