Propan-2-yl 7-aminoheptanoate

Base Information

• Chemical Name: Propan-2-yl 7-aminoheptanoate
• CAS No.: 7790-12-7
• Molecular Formula: C10H21 N O2
• Molecular Weight: 187.282
• UNII: T3S8PBT8B8
• DSSTox Substance ID: DTXSID70228532
• Nikkaji Number: J36.957H
• Wikidata: Q83108521
• Mol file: 7790-12-7.mol

Synonyms:propan-2-yl 7-aminoheptanoate;7790-12-7;7-Aminoheptanoic acid, isopropyl ester;T3S8PBT8B8;HEPTANOIC ACID, 7-AMINO-, ISOPROPYL ESTER;BRN 1765284;UNII-T3S8PBT8B8;DTXSID70228532;ISOPROPYL 7-AMINOHEPTANOATE;1-METHYLETHYL 7-AMINOHEPTANOATE;7-Aminoheptanoic acid 1-methylethyl ester;LS-74366;HEPTANOIC ACID, 7-AMINO-, 1-METHYLETHYL ESTER

Chemical Property of Propan-2-yl 7-aminoheptanoate

Chemical Property:

• Vapor Pressure: 0.0289mmHg at 25°C
• Refractive Index: 1.4621 (estimate)
• Boiling Point: 245.3°C at 760 mmHg
• Flash Point: 110.1°C
• PSA: 52.32000
• Density: 0.931g/cm³
• LogP: 2.54750
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 187.157228913
• Heavy Atom Count: 13
• Complexity: 135

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)CCCCCCN

Technology Process of Propan-2-yl 7-aminoheptanoate

There total 1 articles about Propan-2-yl 7-aminoheptanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 7-amino-heptanoic acid isopropyl ester (7790-12-7)

Guidance literature:

With ammonia; nickel; isopropyl alcohol; at 140 ℃; under 73550.8 Torr; Hydrogenation;

Reference yield:

7-amino-heptanoic acid isopropyl ester (7790-12-7) → 7-aminoheptanoic acid (929-17-9)

Guidance literature:

With hydrogenchloride;

Downstream raw materials:

7-aminoheptanoic acid