ISOPROPYL-(3-METHYL-BENZYL)-AMINE
- Iupac Name：N-[(3-methylphenyl)methyl]propan-2-amine
- CAS No.: 915922-51-9
- Molecular Weight：163.26
- Modify Date.: 2022-11-11 01:44
1. Names and Identifiers
- 1.1 Name
- ISOPROPYL-(3-METHYL-BENZYL)-AMINE
- 1.2 Synonyms
[(3-methylphenyl)methyl](propan-2-yl)amine [(3-methylphenyl)methyl](propan-2-yl)amine hydrochloride Benzenemethanamine, 3-methyl-N-(1-methylethyl)- CHEMBRDG-BB 4017386 N-(3-Methylbenzyl)-2-propanamine N-(3-METHYLBENZYL)PROPAN-2-AMINE N-(3-Methylbenzyl)propan-2-amine hydrochloride N-(3-methylbenzyl)propan-2-amine(SALTDATA: HCl) N-(3-METHYLPHENYLMETHYL)ISOPROPYLAMINE UKRORGSYN-BB BBV-053953
- View all
- 1.3 CAS No.
- 915922-51-9
- 1.4 CID
- 18070694
- 1.5 Molecular Formula
- C11H17N (isomer)
- 1.6 Inchi
- InChI=1S/C11H17N/c1-9(2)12-8-11-6-4-5-10(3)7-11/h4-7,9,12H,8H2,1-3H3
- 1.7 InChIkey
- VYALSSNVODXUNL-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- CC1=CC(=CC=C1)CNC(C)C
- 1.9 Isomers Smiles
- CC1=CC(=CC=C1)CNC(C)C
2. Properties
- 2.1 Density
- 0.903
- 2.1 Boiling point
- 228.2°C at 760 mmHg
- 2.1 Refractive index
- 1.503
- 2.1 Flash Point
- 88.8°C
- 2.1 Precise Quality
- 163.136093
- 2.1 PSA
- 12.03000
- 2.1 logP
- 2.86
3. Safety and Handling
- 3.1 Hazard Class
- IRRITANT
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
5. Computational chemical data
- Molecular Weight: 163.26g/mol
- Molecular Formula: C11H17N
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 163.136099547
- Monoisotopic Mass: 163.136099547
- Complexity: 120
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Topological Polar Surface Area: 12
- Heavy Atom Count: 12
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceByAAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAAQAAAADCjBGAQyAILAAACAAiBCAACCAAAgAAAIiIAIBIgIICKAkRGEIAhgkACIiAcQgEAOAAACAAAAAAAAAAQAAAAAAAAAAAAAAA==
6. Recommended Suppliers
-
- Tel:+1-(858)-451-7400, 800-964-6143
-
7. Realated Product Infomation
skype
