ChemicalBook--->CAS DataBase List--->21568-87-6

21568-87-6

21568-87-6 Structure

21568-87-6 Structure
IdentificationMore
[Name]

(S)-3-AMINO-HEXAHYDRO-2-AZEPINONE
[CAS]

21568-87-6
[Synonyms]

L-2-AMINO-CYCLOHEPTALACTAM
L-(-)-ALPHA-AMINO-EPSILON-CAPROLACTAM
L-ALPHA-AMINO-EPSILON-CAPROLACTAM
L-LYSINE LACTAM
(S)-3-AMINO-2-AZEPANONE
(S)-3-AMINO-AZEPAN-2-ONE
(S)-3-AMINO-HEXAHYDRO-2-AZEPINONE
(S)-(-)-ALPHA-AMINO-OMEGA-CAPROLACTAM
(S)-ALPHA-AMINO-OMEGA-CAPROLACTAM
(S)--Amino-omega-caprolactam
(S)--Amino--caprolactam
(S)-A-AMINO--CAPROLACTAM
(S)-3-Amino-hexahydro-2-azepinone, L-Lysine lactam
L-(-)-α-Amino-ε-caprolactam
(3S)-3-Amino-4,5,6,7-tetrahydro-1H-azepine-2(3H)-one
(S)-(-)-3-Amino-2-oxohexamethyleneimine
(S)-3-Aminohexahydro-1H-azepin-2-one
(S)-3β-Aminohexahydro-1H-azepine-2-one
[S,(-)]-3-Aminohexahydro-1H-azepin-2-one
[Molecular Formula]

C6H12N2O
[MDL Number]

MFCD00064476
[Molecular Weight]

128.17
[MOL File]

21568-87-6.mol
Chemical PropertiesBack Directory
[Melting point ]

97-101 °C
[Boiling point ]

315.1±35.0 °C(Predicted)
[density ]

1.031±0.06 g/cm3(Predicted)
[storage temp. ]

−20°C
[solubility ]

Aqueous Acid (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Yellow Thick Oil to Semi-Solid
[pka]

16.06±0.40(Predicted)
[InChI]

InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m0/s1
[InChIKey]

BOWUOGIPSRVRSJ-YFKPBYRVSA-N
[SMILES]

N1CCCC[C@H](N)C1=O
[CAS DataBase Reference]

21568-87-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[HS Code ]

2933998090
Hazard InformationBack Directory
[Uses]

(S)-3-Amino-2-azepanone is used as an intermediate in the synthesis of bengamide E analogs and capuramycin and its analogs as antibacterial agents.
[Definition]

ChEBI: L-2-aminohexano-6-lactam is a 2-aminohexano-6-lactam derived from L-lysine. It is a L-lysine derivative and a 2-aminohexano-6-lactam. It is a conjugate base of a L-2-ammoniohexano-6-lactam. It is an enantiomer of a D-2-aminohexano-6-lactam.
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-3-AMINO-HEXAHYDRO-2-AZEPINONE(21568-87-6)MS
(S)-3-AMINO-HEXAHYDRO-2-AZEPINONE(21568-87-6)1HNMR
(S)-3-AMINO-HEXAHYDRO-2-AZEPINONE(21568-87-6)13CNMR
(S)-3-AMINO-HEXAHYDRO-2-AZEPINONE(21568-87-6)IR1
(S)-3-AMINO-HEXAHYDRO-2-AZEPINONE(21568-87-6)IR2
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