3-Methyl-1-pentyn-3-amine hydrochloride - CAS 108575-32-2
Catalog: |
BB002288 |
Product Name: |
3-Methyl-1-pentyn-3-amine hydrochloride |
CAS: |
108575-32-2 |
Synonyms: |
3-methylpent-1-yn-3-amine;hydrochloride |
IUPAC Name: | 3-methylpent-1-yn-3-amine;hydrochloride |
Description: | 3-Methyl-1-pentyn-3-amine hydrochloride (CAS# 108575-32-2) is a useful research chemical. |
Molecular Weight: | 133.62 |
Molecular Formula: | C6H11N · HCl |
Canonical SMILES: | CCC(C)(C#C)N.Cl |
InChI: | InChI=1S/C6H11N.ClH/c1-4-6(3,7)5-2;/h1H,5,7H2,2-3H3;1H |
InChI Key: | SKTAYCACHOHBEU-UHFFFAOYSA-N |
Boiling Point: | 172.3 ℃ at 760 mmHg |
Purity: | 95 % |
Appearance: | White to brown crystalline powder |
Storage: | Keep in dark place, Inert atmosphere, 2-8 ℃ |
LogP: | 2.24930 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-201620877-A | New pharmaceutical compound | 20140328 |
WO-2015144977-A1 | Trpa1 modulators | 20140328 |
AU-2013326429-A1 | N-prop-2-ynyl carboxamide derivatives and their use as trpa1 antagonists | 20121001 |
AU-2013326429-B2 | N-prop-2-ynyl carboxamide derivatives and their use as TRPA1 antagonists | 20121001 |
CA-2884922-A1 | N-prop-2-ynyl carboxamide derivatives and their use as trpa1 antagonists | 20121001 |
Complexity: | 98 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 133.0658271 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 133.0658271 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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Alkynes
Amines and Anilines
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