Cas no 18231-61-3 (2-Butene-1,4-diamine)
2-Butene-1,4-diamine structure
Product Name:2-Butene-1,4-diamine
CAS No:18231-61-3
MF:C4H10N2
MW:86.135600566864
CID:164598
PubChem ID:6392687
Update Time:2025-04-19
2-Butene-1,4-diamine Chemical and Physical Properties
Names and Identifiers
-
- 2-Butene-1,4-diamine
- but-2-ene-1,4-diamine
- Diaminobutene
- (2E)-but-2-ene-1,4-diamine
- 1,4-Diamino-2-butene
- but-1-ene-1,1-diamine
- E-Bed diamine
- 40930-37-8
- US9161922, Table 1, Compound 8
- DTXSID201044354
- AKOS025149246
- 2-Butene-1,4-diamine, (E)-
- BDBM185642
- EN300-130407
- EN300-1588901
- (E)-but-2-ene-1,4-diamine
- AKOS006374611
- MFCD00047962
- CHEMBL3899142
- 18231-61-3
- (2E)-2-Butene-1,4-diamine
- (E)-2-Butene-1,4-diamine
- 1,4-diaminobut-2-ene
-
- Inchi： 1S/C4H10N2/c5-3-1-2-4-6/h1-2H,3-6H2/b2-1+
- InChI Key： FPYGTMVTDDBHRP-OWOJBTEDSA-N
- SMILES： NC/C=C/CN
Computed Properties
- Exact Mass: 86.0845
- Monoisotopic Mass: 86.084398327g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 6
- Rotatable Bond Count: 2
- Complexity: 34.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.3
- Topological Polar Surface Area: 52?2
Experimental Properties
- PSA: 52.04
2-Butene-1,4-diamine Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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5. 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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