(2S,5R,6R)-6-(Azepan-1-Ylmethylideneamino)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid Hydrochloride
[CAS# 32887-08-4]

Identification

• Name: (2S,5R,6R)-6-(Azepan-1-Ylmethylideneamino)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid Hydrochloride
• Synonyms: (2S,5R,6R)-6-(Azepan-1-Ylmethyleneamino)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid Hydrochloride; (2S,5R,6R)-6-(1-Azepanylmethyleneamino)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid Hydrochloride; (2S,5R,6R)-6-(Azepan-1-Ylmethyleneamino)-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid Hydrochloride
• Molecular Formula: C₁₅H₂₄ClN₃O₃S
• Molecular Weight: 361.89
• CAS Registry Number: 32887-08-4
• EINECS: 251-279-2
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2N=CN3CCCCCC3)C(O)=O)(C)C.[H+].[Cl-]
• InChI: 1S/C15H23N3O3S.ClH/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17;/h9-11,13H,3-8H2,1-2H3,(H,20,21);1H/t10-,11+,13-;/m1./s1
• InChIKey: NJFHBXJMXCUBBY-GYBQEXSMSA-N

Properties

• Boiling point: 550.6°C at 760 mmHg (Cal.)
• Flash point: 286.8°C (Cal.)