Cas no 98405-02-8 (Benzenemethanamine, a-methyl-4-(1-methylethyl)-, (+)-)
98405-02-8 structure
Product Name:Benzenemethanamine, a-methyl-4-(1-methylethyl)-, (+)-
CAS No:98405-02-8
MF:C11H17N
MW:163.259382963181
CID:801760
Update Time:2024-02-01
Benzenemethanamine, a-methyl-4-(1-methylethyl)-, (+)- Chemical and Physical Properties
Names and Identifiers
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- Benzenemethanamine, a-methyl-4-(1-methylethyl)-, (+)-
- Benzenemethanamine, alpha-methyl-4-(1-methylethyl)-, (+)- (9CI)
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- Inchi： 1S/C11H17N/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-9H,12H2,1-3H3
- InChI Key： UHAQMLODFYUKOM-UHFFFAOYSA-N
- SMILES： C1(C(C)N)=CC=C(C(C)C)C=C1
Computed Properties
- Exact Mass: 163.136
- Monoisotopic Mass: 163.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 8
- Complexity: 514
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 4.9
- Topological Polar Surface Area: 26A^2
Experimental Properties
- Density: 0.923
- Boiling Point: 236.1°C at 760 mmHg
- Flash Point: 101.5°C
- Refractive Index: 1.517
Benzenemethanamine, a-methyl-4-(1-methylethyl)-, (+)- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
98405-02-8 (Benzenemethanamine, a-methyl-4-(1-methylethyl)-, (+)-) Related Products
- 98-84-0(α-Phenylethylamine)
- 586-70-9(1-(4-Methylphenyl)ethylamine)
- 4395-73-7(4-Isopropylbenzylamine)
- 585-32-0(Cumylamine)
- 3886-69-9((1R)-1-phenylethan-1-amine)
- 14002-51-8(4-Phenylbenzoyl chloride)
- 5824-40-8(Triphenylmethylamine)
- 618-36-0(1-phenylethan-1-amine)
- 138457-19-9((1R)-1-(3-methylphenyl)ethan-1-amine)
- 2627-86-3((S)-alpha-phenylethylamine)
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