Cas no 101948-24-7 (Pentanimidic acid, 4-methyl-, methyl ester, hydrochloride)
101948-24-7 structure
Product Name:Pentanimidic acid, 4-methyl-, methyl ester, hydrochloride
CAS No:101948-24-7
MF:C7H16ClNO
MW:165.661041259766
CID:1134939
PubChem ID:13627493
Update Time:2025-04-20
Pentanimidic acid, 4-methyl-, methyl ester, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- Pentanimidic acid, 4-methyl-, methyl ester, hydrochloride
- methyl 4-methylpentanimidate,hydrochloride
- 101948-24-7
- Methyl 4-methylpentanimidate hydrochloride
- DTXSID80545368
- SCHEMBL4521898
- Pentanimidic acid, 4-methyl-, methyl ester, hydrochloride (1:1)
- Methyl 4-methylpentanimidate--hydrogen chloride (1/1)
- Methyl4-methylpentanimidatehydrochloride
-
- Inchi： 1S/C7H15NO.ClH/c1-6(2)4-5-7(8)9-3;/h6,8H,4-5H2,1-3H3;1H
- InChI Key： OYIOSQOAXAUXAY-UHFFFAOYSA-N
- SMILES： Cl.O(C)C(CCC(C)C)=N
Computed Properties
- Exact Mass: 165.09218
- Monoisotopic Mass: 165.0920418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 88.9
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 33.1?2
Experimental Properties
- PSA: 33.08
Pentanimidic acid, 4-methyl-, methyl ester, hydrochloride Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
101948-24-7 (Pentanimidic acid, 4-methyl-, methyl ester, hydrochloride) Related Products
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