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CAS Number: 671-42-1
3-aminoazepan-2-one

Structure

3-aminoazepan-2-one
Name: 3-aminoazepan-2-one
Synonyms:
General Information
Product Number: 671421

CAS Registry Number 671-42-1
Name:
2H-​Azepin-​2-​one, 3-​aminohexahydro-
(±)-α-Amino-ε-caprolactam
(±)-α-Aminocaprolactam
2-Oxoazepan-3-amine
3-Amino-1-azacycloheptan-2-one
3-Amino-2-oxohomopiperidine

 

Chemical Formula: C6H12N2O
Exact Mass: 128.09
Molecular Weight: 128.17
m/z: 128.09 (100.0%), 129.10 (6.7%)

 

InChI:InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)

InChI Key:BOWUOGIPSRVRSJ-UHFFFAOYSA-N

Canonical SMILES:C1CCNC(=O)C(C1)N

 

Thermal Properties Value Condition Note
Boiling Point 168-172 °C Press: 13 Torr (1)CAS
Boiling Point 168-172 °C Press: 13 Torr (2)CAS
Boiling Point 165-168 °C Press: 0.12 Torr (3)CAS
Boiling Point 165-168 °C Press: 12 Torr (2)CAS
Boiling Point 162-165 °C Press: 11 Torr (1)CAS
Boiling Point 115 °C Press: 0.02 Torr (4)CAS

Specification

98%

References
  1. (1) Brenner, Carl M.; US 2955109 1960 CAPLUS
  2. (2) Brenner, M.; Helvetica Chimica Acta 1958, V41, P181-8 CAPLUS
  3. (3) GB 884299 1961 CAPLUS
  4. (4) Foitl, Verena R.; DE 1902842 A 1969 CAPLUS
  5. (5) Foitl, Verena R.; DE 1902841 A 1969 CAPLUS
  6. (9) Brenner, Carl M.; US 2938029 1960 CAPLUS
  7. (10) Scherrer, Joseph H.; US 3024231 1962 CAPLUS
  8. (11) JP 157331 1943 CAPLUS
  9. (12) Orosz, Stefan; RO 51074 1968 CAPLUS
  10. (13) Blade-Font, Artur; Tetrahedron Letters 1980, V21(25), P2443-6 CAPLUS
  11. (14) Glushkov, R. G.; Khimiya Geterotsiklicheskikh Soedinenii 1975, (6), P798-801 CAPLUS
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