Cas no 51977-18-5 (1-Butanol,2-[(1-methylethyl)amino]-)
![1-Butanol,2-[(1-methylethyl)amino]- structure](https://ossimg.kuujia.com/scimg/52000/51977-18-5x500.png)
51977-18-5 structure
Product Name:1-Butanol,2-[(1-methylethyl)amino]-
CAS No:51977-18-5
MF:C7H17NO
MW:131.215982198715
CID:386892
PubChem ID:241596
Update Time:2025-04-19
1-Butanol,2-[(1-methylethyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanol,2-[(1-methylethyl)amino]-
- 2-(propan-2-ylamino)butan-1-ol
- AC1L67P5
- AC1Q7BNS
- AG-F-76655
- AR-1C9796
- CTK4J5198
- NSC49158
- NSC-49158
- 51977-18-5
- 2-(isopropylamino)-1-butanol
- SCHEMBL9949899
- AKOS009064449
- DTXSID00287137
-
- Inchi： 1S/C7H17NO/c1-4-7(5-9)8-6(2)3/h6-9H,4-5H2,1-3H3
- InChI Key： HHZREYAIWSZPGE-UHFFFAOYSA-N
- SMILES： OCC(CC)NC(C)C
Computed Properties
- Exact Mass: 131.13111
- Monoisotopic Mass: 131.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 63.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 32.3?2
Experimental Properties
- Density: 0.868
- Boiling Point: 204.8°Cat760mmHg
- Flash Point: 66.5°C
- Refractive Index: 1.436
- PSA: 32.26
- LogP: 1.14620
1-Butanol,2-[(1-methylethyl)amino]- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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