Cas no 74249-09-5 (Benzamide,4-(3-aminobutyl)-, (S)- (9CI))
74249-09-5 structure
Product Name:Benzamide,4-(3-aminobutyl)-, (S)- (9CI)
CAS No:74249-09-5
MF:C11H16N2O
MW:192.257542610168
CID:566427
PubChem ID:13615029
Update Time:2025-04-19
Benzamide,4-(3-aminobutyl)-, (S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzamide,4-(3-aminobutyl)-, (S)- (9CI)
- (S)-4-(3-aminobutyl)benzamide
- 4-[(3S)-3-aminobutyl]benzamide
- 4-(3-aminobutyl)benzamide
- DTXSID20995762
- 74249-09-5
- NS00059035
- SCHEMBL9787159
- EINECS 277-787-4
-
- Inchi： 1S/C11H16N2O/c1-8(12)2-3-9-4-6-10(7-5-9)11(13)14/h4-8H,2-3,12H2,1H3,(H2,13,14)/t8-/m0/s1
- InChI Key： UMPFJWRYLQLSTG-QMMMGPOBSA-N
- SMILES： O=C(C1C=CC(=CC=1)CC[C@H](C)N)N
Computed Properties
- Exact Mass: 192.126263138g/mol
- Monoisotopic Mass: 192.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 186
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 5
- XLogP3: nothing
- Topological Polar Surface Area: 69.1?2
Experimental Properties
- Density: 1.079
- Boiling Point: 356.4°C at 760 mmHg
- Flash Point: 169.4°C
- Refractive Index: 1.559
Benzamide,4-(3-aminobutyl)-, (S)- (9CI) Related Literature
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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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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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