1-Methyl-3-phenylpropylamine - ≥98% , CAS No.22374-89-6

CAS: 22374-89-6 Cat. No.: M168739 Molecular Weight: 149.23 EC Number: 244-942-2

GRADE & PURITY ≥98%

Synonyms

AC-8354 | PROPYLAMINE, alpha-METHYL-gamma-PHENYL- | A0999 | NSC 115524 | SB47247 | 1-Phenyl-3-aminobutane | AKOS016051338 | Benzenepropanamine, alpha-methyl- | FT-0605241 | 1-methy-3-phenylpropylamine | Q27256149 | 1-methyl 3-phenyl-propylamine | MFCD0000

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

application：

It is employed as a chemical intermediate. 1-Methyl-3-phenylpropylamine is used in the synthesis of N-substituted derivatives of (1-methyl-3- phenylpropyl)amine.

Specifications

Synonyms

AC-8354 | PROPYLAMINE, alpha-METHYL-gamma-PHENYL- | A0999 | NSC 115524 | SB47247 | 1-Phenyl-3-aminobutane | AKOS016051338 | Benzenepropanamine, alpha-methyl- | FT-0605241 | 1-methy-3-phenylpropylamine | Q27256149 | 1-methyl 3-phenyl-propylamine | MFCD0000

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488183125
• Canonical Smiles: CC(CCC1=CC=CC=C1)N
• IUPAC Name: 4-phenylbutan-2-amine
• InChIKey: WECUIGDEWBNQJJ-UHFFFAOYSA-N
• INCHI: 1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
• Isomeric SMILES: CC(CCC1=CC=CC=C1)N
• WGK Germany: 2
• RTECS: UI3920000
• Molecular Weight: 149.23
• Reaxy-Rn: 2413110
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2413110&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Benzene and substituted derivatives Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Benzenoid - Monocyclic benzene moiety - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Slightly soluble in water. Soluble in chloroform and ethyl acetate.
• Sensitivity: Air sensitive
• Refractive Index: 1.514
• Flash Point(°F): 208.4 °F
• Flash Point(°C): 98 °C
• Boil Point(°C): 228-232 °C
• Melt Point(°C): -50℃
• Molecular Weight: 149.230 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 149.12 Da
• Monoisotopic Mass: 149.12 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 95.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Kong Lingmei, Sun Yuqi, Zhao Bin, Ji Kangyu, Feng Jie, Dong Jianchao, Wang Yuanzhi, Liu Zirui, Maqbool Shabnum, Li Yunguo, Yang Yingguo, Dai Linjie, Lee Wanhee, Cho Changsoon, Stranks Samuel D., Friend Richard H., Wang Ning, Greenham Neil C., Yang Xuyong.  (2024)  Fabrication of red-emitting perovskite LEDs by stabilizing their octahedral structure.  NATURE,  631  (8019): (73-79).  [PMID:38867044] [10.1038/s41586-024-07531-9]

2. Jie Yuan, Dexin Liu, Yu Tian, Hongtao Tang, Shaoyan Wang, Jinyong Song, Han Jia.  (2024)  Novel insights to the effects of different modification groups on the enhanced oil recovery related properties of carboxyl nanocellulose at the crude oil/water interface.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2024.133351]

3. Yu Tang, Sinan Wang, Cuifen Fang, Ruiqi Zheng, Ping Xu, J. Brent Friesen, Shao-Nong Chen, Yi Wang, Guido F. Pauli, Yiyu Cheng.  (2025)  Open Digital Reference Materials Unchain Controlled Substance Analysis.  ANALYTICAL CHEMISTRY,      [PMID:40601392] [10.1021/acs.analchem.5c00109]