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CAS Number: 5036-48-6
3-(1H-imidazol-1-yl)propan-1-amine

Structure

3-(1H-imidazol-1-yl)propan-1-amine
Name: 3-(1H-imidazol-1-yl)propan-1-amine
Synonyms:
General Information
Product Number: 5036486

CAS Registry Number: 5036-48-6

Name:

1H-​Imidazole-​1-​propanamine
Imidazole, 1-​(3-​aminopropyl)​- (7CI,​8CI); 1-​(3-​Aminopropyl)​-​1H-​imidazole; 1-​(3-​Aminopropyl)​imidazole; 1-​(3'-​Aminopropyl)​imidazole; 3-​(1-​Imidazolyl)​propylamine; 3-​(1H-​1-​Imidazolyl)​-​1-​propanamine; 3-​(1H-​Imidazol-​1-​yl)​-​1-​propylamine; 3-​(1H-​Imidazol-​1-​yl)​propylamine; 3-​(Imidazol-​1-​yl)​propylamine; Lupragen API; N-​(3-​Aminopropyl)​imidazole; N-​[3-​(1H-​Imidazol-​1-​yl)​propyl]​amine; PC CAT API 

 

Chemical Formula: C6H11N3
Exact Mass: 125.10
Molecular Weight: 125.17
m/z: 125.10 (100.0%), 126.10 (6.6%), 126.09 (1.1%)
Elemental Analysis: C, 57.57; H, 8.86; N, 33.57

 

InChI: InChI=1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2
InChIKey: KDHWOCLBMVSZPG-UHFFFAOYSA-N
Canonical SMILES : C1=CN(C=N1)CCCN

 

Thermal Properties Value Condition Note
Boiling Point 117 °C Press: 2 Torr (1)IC
Boiling Point 98-100 °C Press: 0.2 Torr (2)CAS
Thermal Analysis See full text   (9)CAS

Specification

98%

References
  1. (1) Yamauchi, Masahige; Chemical & Pharmaceutical Bulletin 1976, V24(7), P1480-4 CAPLUS
  2. (2) NL 6505524 1965 CAPLUS
  3. (3) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  4. (4) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  5. (5) Li, Jun; Journal of Medicinal Chemistry 2007, V50(24), P5890-5893 CAPLUS
  6. (6) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  7. (7) Wang, Shenliang; Organic & Biomolecular Chemistry 2011, V9(20), P6924-6926 CAPLUS
  8. (8) Rowan, Raymond; Polyhedron 2006, V25(8), P1771-1778 CAPLUS
  9. (9) Dai, Wei-Li; Catalysis Letters 2010, V137(1-2), P74-80 CAPLUS
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