Cas no 101756-36-9 (Propanedinitrile,2-(1-methyl-4-piperidinylidene)-, hydrochloride (1:1))
101756-36-9 structure
Product Name:Propanedinitrile,2-(1-methyl-4-piperidinylidene)-, hydrochloride (1:1)
CAS No:101756-36-9
MF:C9H14ClN3
MW:199.680560588837
CID:195791
PubChem ID:58854
Update Time:2025-04-19
Propanedinitrile,2-(1-methyl-4-piperidinylidene)-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile,2-(1-methyl-4-piperidinylidene)-, hydrochloride (1:1)
- 2-(1-methylpiperidin-1-ium-4-yl)propanedinitrile,chloride
- (1-Methyl-[4]piperidyliden)-malononitril, Hydrochlorid
- (1-methyl-[4]piperidylidene)-malononitrile, hydrochloride
- 4-(dicyanomethyl)-1-methylpiperidinium chloride
- AC1L1PX4
- AC1Q1S75
- LS-88966
- MALONONITRILE, (1-METHYL-4-PIPERIDINYL)-, HYDROCHLORIDE, DIHYDRATE
- 1-Methyl-delta (sup 4),alpha-piperidinemalononitrile hydrochloride dihydrate
- 101756-36-9
-
- Inchi： 1S/C9H13N3.ClH/c1-12-4-2-8(3-5-12)9(6-10)7-11;/h8-9H,2-5H2,1H3;1H
- InChI Key： ZSRQMXPWMSHUMT-UHFFFAOYSA-N
- SMILES： [Cl-].[NH+]1(C)CCC(C(C#N)C#N)CC1
Computed Properties
- Exact Mass: 184.9782
- Monoisotopic Mass: 199.087625
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 217
- 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: 52
Experimental Properties
- Boiling Point: 300.5°Cat760mmHg
- Flash Point: 129.6°C
- PSA: 53.48
- LogP: -1.85234
Propanedinitrile,2-(1-methyl-4-piperidinylidene)-, hydrochloride (1:1) Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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