Cas no 78249-62-4 (1,4-Butanediamine,N1-(3-aminopropyl)-N1-nitroso-)
78249-62-4 structure
Product Name:1,4-Butanediamine,N1-(3-aminopropyl)-N1-nitroso-
CAS No:78249-62-4
MF:C7H18N4O
MW:174.244020938873
CID:563470
PubChem ID:155809
Update Time:2025-04-19
1,4-Butanediamine,N1-(3-aminopropyl)-N1-nitroso- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Butanediamine,N1-(3-aminopropyl)-N1-nitroso-
- 1,4-Butanediamine, N-(3-aminopropyl)-N-nitroso-
- N-[4-(3-aminopropylamino)butyl]nitrous amide
- N-nitrosospermidine
- 78249-62-4
- DTXSID90999595
- N-(4-aminobutyl)-N-(3-aminopropyl)nitrous amide
-
- Inchi： 1S/C7H18N4O/c8-4-1-2-6-11(10-12)7-3-5-9/h1-9H2
- InChI Key： GOYXLDVHFLHAHB-UHFFFAOYSA-N
- SMILES： O=NN(CCCN)CCCCN
Computed Properties
- Exact Mass: 174.148
- Monoisotopic Mass: 174.148
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 110
- 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: -0.6
- Topological Polar Surface Area: 84.7?2
Experimental Properties
- Density: 1.14
- Boiling Point: 349.1°C at 760 mmHg
- Flash Point: 164.9°C
- Refractive Index: 1.525
1,4-Butanediamine,N1-(3-aminopropyl)-N1-nitroso- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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