Cas no 6972-52-7 (1,3-Benzenedimethanamine,4,6-dimethyl-, hydrochloride (1:2))
6972-52-7 structure
Product Name:1,3-Benzenedimethanamine,4,6-dimethyl-, hydrochloride (1:2)
CAS No:6972-52-7
MF:C10H17ClN2
MW:200.708381414413
CID:528155
PubChem ID:54606073
Update Time:2025-04-19
1,3-Benzenedimethanamine,4,6-dimethyl-, hydrochloride (1:2) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedimethanamine,4,6-dimethyl-, hydrochloride (1:2)
- [5-(aminomethyl)-2,4-dimethylphenyl]methanamine,hydrochloride
- NSC62115
- NSC-62115
- DTXSID40714210
- (4,6-Dimethyl-1,3-phenylene)dimethanamine--hydrogen chloride (1/1)
- 6972-52-7
-
- Inchi： 1S/C10H16N2.ClH/c1-7-3-8(2)10(6-12)4-9(7)5-11;/h3-4H,5-6,11-12H2,1-2H3;1H
- InChI Key： MVGRRDMFUFWHTN-UHFFFAOYSA-N
- SMILES： Cl.NCC1C=C(CN)C(C)=CC=1C
Computed Properties
- Exact Mass: 200.10800
- Monoisotopic Mass: 200.108
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 122
- 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: 52A^2
Experimental Properties
- Density: 1.014
- Boiling Point: 296.8°Cat760mmHg
- Flash Point: 157.6°C
- PSA: 52.04000
- LogP: 3.42340
1,3-Benzenedimethanamine,4,6-dimethyl-, hydrochloride (1:2) Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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