| CAS Number | 1158414-22-2 |
| Catalog Number | AG0097WP(AGN-PC-0WB7R2) |
| Chemical Name | Allyl-prop-2-ynyl-amine hydrochloride |
| IUPAC Name | N-prop-2-ynylprop-2-en-1-amine;hydrochloride |
| InChI | InChI=1S/C6H9N.ClH/c1-3-5-7-6-4-2;/h1,4,7H,2,5-6H2;1H |
| InChI Key | QRJTUMVCSIRFMX-UHFFFAOYSA-N |
| MDL Number | MFCD03596896 |
| Molecular Formula | C6H10ClN |
| Molecular Weight | 131.6033 |
| SMILES | C(CNCC=C)#C.Cl |
| Synonyms | Allyl-prop-2-ynyl-amine hydrochloride,
1158414-22-2,
N-(PROP-2-YN-1-YL)PROP-2-EN-1-AMINE HCL,
N-(Prop-2-yn-1-yl)prop-2-en-1-amine hydrochloride,
CTK5J4925,
ZX-CM017344,
9621AC,
MFCD03596896,
AKOS015846570,
AS-38749,
BP-11290,
TR-041580,
EN300-211459,
N-2-Propyn-1-yl-2-propen-1-amine hydrochloride,
prop-2-en-1-yl(prop-2-yn-1-yl)amine hydrochloride,
C6H10ClN,
42268-68-8,
|
| Complexity | 85.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.603g/mol |
| Monoisotopic Mass | 131.05g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^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