Cas no 6937-11-7 (1H-1,3-Diazepin-2-amine,N-decyl-4,5,6,7-tetrahydro-, hydriodide (1:1))
6937-11-7 structure
Product Name:1H-1,3-Diazepin-2-amine,N-decyl-4,5,6,7-tetrahydro-, hydriodide (1:1)
CAS No:6937-11-7
MF:C15H32IN3
MW:381.339156150818
CID:519551
PubChem ID:24185456
Update Time:2025-04-19
1H-1,3-Diazepin-2-amine,N-decyl-4,5,6,7-tetrahydro-, hydriodide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1H-1,3-Diazepin-2-amine,N-decyl-4,5,6,7-tetrahydro-, hydriodide (1:1)
- NSC40173
- NSC-40173
- 6937-11-7
- DTXSID90637086
- N-Decyl-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine--hydrogen iodide (1/1)
-
- Inchi： 1S/C15H31N3.HI/c1-2-3-4-5-6-7-8-9-12-16-15-17-13-10-11-14-18-15;/h2-14H2,1H3,(H2,16,17,18);1H
- InChI Key： DMICGOVSRJCXMX-UHFFFAOYSA-N
- SMILES： I.N(C1=NCCCCN1)CCCCCCCCCC
Computed Properties
- Exact Mass: 253.25203
- Monoisotopic Mass: 381.164
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 10
- Complexity: 214
- 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: 36.4A^2
Experimental Properties
- Density: 0.97
- Boiling Point: 355°C at 760 mmHg
- Flash Point: 168.5°C
- Refractive Index: 1.515
- PSA: 36.42
- LogP: 4.60960
1H-1,3-Diazepin-2-amine,N-decyl-4,5,6,7-tetrahydro-, hydriodide (1:1) Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
6937-11-7 (1H-1,3-Diazepin-2-amine,N-decyl-4,5,6,7-tetrahydro-, hydriodide (1:1)) Related Products
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