Cas no 7474-81-9 ( )
structure
Product Name:
CAS No:7474-81-9
MF:C9H15ClN2
MW:186.681801080704
CID:980184
PubChem ID:24200785
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-N,1-N,2-trimethylbenzene-1,4-diamine
- 1,4-benzenediamine, N~1~,N~1~,2-trimethyl-
- N~1~,N~1~,2-Trimethylbenzene-1,4-diamine
- NSC401095
- 7474-81-9
- SCHEMBL9788675
- NSC-401095
- DTXSID30996260
- N~1~,N~1~,2-Trimethylbenzene-1,4-diamine--hydrogen chloride (1/1)
-
-
- Inchi: 1S/C9H14N2.ClH/c1-7-6-8(10)4-5-9(7)11(2)3;/h4-6H,10H2,1-3H3;1H
- InChI Key: FHAKRRLIYOUEOK-UHFFFAOYSA-N
- SMILES: Cl.N(C)(C)C1C=CC(=CC=1C)N
Computed Properties
- Exact Mass: 150.11582
- Monoisotopic Mass: 150.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 123
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 29.3?2
Experimental Properties
- Density: 1.029
- Boiling Point: 250.4°C at 760 mmHg
- Flash Point: 94.2°C
- Refractive Index: 1.595
- PSA: 29.26
- LogP: 3.02640
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-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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