(R)-(+)-1-Phenylpropylamine - ≥96% , CAS No.3082-64-2

CAS: 3082-64-2 Cat. No.: R639496 Molecular Weight: 135.21 Beilstein Registry Number: 3029904 EC Number: 608-544-6

GRADE & PURITY ≥96%

Synonyms

(R)-1-phenylpropan-1-amine | 1(r)-phenylpropylamine | J-018156 | (R)-(+)-alpha -Ethylbenzylamine | EC 608-544-6 | MLS006011493 | (R)-(+)-1-Phenylpropylamine | (R)-(+)-1-phenyl-propylamine | (R)-1-(phenyl)-propylamine | (R)-1-Phenylpropylamine | (r)-1-phen

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

For synthesis of optically active products.

Specifications

Synonyms

(R)-1-phenylpropan-1-amine | 1(r)-phenylpropylamine | J-018156 | (R)-(+)-alpha -Ethylbenzylamine | EC 608-544-6 | MLS006011493 | (R)-(+)-1-Phenylpropylamine | (R)-(+)-1-phenyl-propylamine | (R)-1-(phenyl)-propylamine | (R)-1-Phenylpropylamine | (r)-1-phen

Specifications & Purity

≥96%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Canonical Smiles: CCC(C1=CC=CC=C1)N
• IUPAC Name: (1R)-1-phenylpropan-1-amine
• InChIKey: AQFLVLHRZFLDDV-SECBINFHSA-N
• INCHI: 1S/C9H13N/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3/t9-/m1/s1
• Isomeric SMILES: CC[C@H](C1=CC=CC=C1)N
• WGK Germany: 3
• UN Number: 2735
• Packing Group: II
• Molecular Weight: 135.21
• Beilstein: 3029904
• Reaxy-Rn: 2412015
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2412015&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylpropylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylpropylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropylamines
• Alternative Parents: Phenylpropanes Aralkylamines Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropylamine - Phenylpropane - Aralkylamine - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.
• 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

• Sensitivity: Air sensitive
• Refractive Index: 1.52
• Specific Rotation[α]: +20°
• Flash Point(°F): 170°F
• Flash Point(°C): 77°C
• Boil Point(°C): 205°C
• Melt Point(°C): -69°C
• Molecular Weight: 135.210 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.105 Da
• Monoisotopic Mass: 135.105 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 84.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• 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. Shihai You, Zeng-Kui Zhu, Shuheng Dai, Jianbo Wu, Qianwen Guan, Tingting Zhu, Panpan Yu, Changjian Chen, Qiushui Chen, Junhua Luo.  (2023)  Inch-Size Single Crystals of Lead-Free Chiral Perovskites with Bulk Photovoltaic Effect for Stable Self-Driven X-Ray Detection.  ADVANCED FUNCTIONAL MATERIALS,  33  (36): (2303523).  [PMID:] [10.1002/adfm.202303523]

2. Zeng-Kui Zhu, Tingting Zhu, Jianbo Wu, Shihai You, Panpan Yu, Xitao Liu, Lina Li, Chengmin Ji, Junhua Luo.  (2023)  Discovering New Type of Lead-Free Cluster-Based Hybrid Double Perovskite Derivatives with Chiral Optical Activities and Low X-Ray Detection Limit.  ADVANCED FUNCTIONAL MATERIALS,  33  (26): (2214660).  [PMID:] [10.1002/adfm.202214660]

3. Tingting Zhu, Kun Zhang, Chengmin Ji, Xinyuan Zhang, Huang Ye, Yuanchen Zou, Junhua Luo.  (2022)  Multilayered Alternating-Cations-Intercalation Chiral Hybrid Perovskites with High Circular Polarization Sensitivity.  Small,  18  (51): (2203571).  [PMID:36344457] [10.1002/smll.202203571]

4. Li Hang, Li Xinling, Wang Peng, Zhu Tingting, Li Ruiqing, Ye Huang, Geng Yaru, Dai Hongliang, Luo Junhua.  (2025)  Dramatical enhancement of circular dichroism in chiral hybrid perovskites via carboxylic hydrogen bond engineering.  Science China-Chemistry,      [PMID:] [10.1007/s11426-024-2473-6]

5. Zeng-Kui Zhu, Jianbo Wu, Panpan Yu, Ying Zeng, Ruiqing Li, Qianwen Guan, Hongliang Dai, Guirong Chen, Huawei Yang, Xitao Liu, Lina Li, Chengmin Ji, Junhua Luo.  (2024)  Polar Alternating Cations Intercalated Hybrid Perovskite with Iodine-Substituted Spacers Toward Efficient Passive X-Ray Detection.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202409857]

6. 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]

7. Qianwen Guan, Zhenyue Wu, Huang Ye, Chengshu Zhang, Hang Li, Chengmin Ji, Xitao Liu, Junhua Luo.  (2025)  Anomalous Photovoltaic Effect in a Chiral Alternating-Cation Intercalation-Type Perovskite for Efficient Self-Driven X-Ray Detection.  Small,      [PMID:40434288] [10.1002/smll.202503755]