| CAS Number | 169815-40-1 |
| Catalog Number | AG00ASRA(AGN-PC-0Q9JJ7) |
| Chemical Name | 1,3-Propanediamine, N'-(7-chloro-4-quinolinyl)-N,N-diethyl-,dihydrochloride |
| IUPAC Name | N-(7-chloroquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride |
| InChI | InChI=1S/C16H22ClN3.2ClH/c1-3-20(4-2)11-5-9-18-15-8-10-19-16-12-13(17)6-7-14(15)16;;/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,18,19);2*1H |
| InChI Key | ZNHBPWZRWNFJPN-UHFFFAOYSA-N |
| MDL Number | MFCD31699988 |
| Molecular Formula | C16H24Cl3N3 |
| Molecular Weight | 364.7409 |
| SMILES | C(N(CC)CC)CCNC1C2C(N=CC=1)=CC(Cl)=CC=2.[H]Cl.[H]Cl |
| UNII | PKT9732S5K |
| Synonyms | AQ-13 Dihydrochloride,
169815-40-1,
AQ-13,
UNII-PKT9732S5K,
AQ 13,
PKT9732S5K,
DTXSID10168761,
(N1-(7-Chloroquinolin-4-yl)-3-(N3,N3-diethylamino)propylamine) dihydrochloride,
HY-100358,
CS-0018673,
1,3-Propanediamine, N'-(7-chloro-4-quinolinyl)-N,N-diethyl-, dihydrochloride,
D0L1VI,
CID9820475,
N'-(7-chloroquinolin-4-yl)-N,N-diethyl-propane-1,3-diamine Dihydrochloride,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 363.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 364.739g/mol |
| Monoisotopic Mass | 363.104g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number