D-2-Aminohexano-6-lactam

HCID 439823CAS 28957-33-7
Substructure searchFind similar structures

Basic information

Standard SMILES
N[C@@H]1CCCCNC1=O
InChIKey
BOWUOGIPSRVRSJ-RXMQYKEDSA-N
Molecular formula
C6H12N2O
Average molar mass
128.17 g/mol
Monoisotopic mass
128.094963

Overview

D-2-aminohexano-6-lactam is a 2-aminohexano-6-lactam. It is a conjugate base of a D-2-ammoniohexano-6-lactam. It is an enantiomer of a L-2-aminohexano-6-lactam.

Names & identifiers

Preferred name
D-2-Aminohexano-6-lactam
IUPAC
(3R)-3-aminoazepan-2-one
English name
D-alpha-Amino-epsilon-caprolactam
Molecular formula
C6H12N2O
Molecular weight
128.17

Names & synonyms

(3R)-3-aminoazepan-2-oneD-2-aminohexano-6-lactamD-2-Amino-hexano-6-lactamCHEBI:29090RefChem:1082843(r)-3-aminoazepan-2-one28957-33-7(R)-3-Amino-2-azepanone2H-Azepin-2-one, 3-aminohexahydro-, (3R)-D-alpha-amino-epsilon-caprolactamMFCD00010201(R)-A-Amino-omega-caprolactam
Show more names
D-Lysine lactamLysine ImpurityLysine lactam, D-Xylose Impurity 6(R)-3-AMinoazepane(+)-α-Amino-ε-caprolactam(R)-3-Amino-Hexahydro-1H-Azepin
(r)-alpha-amino-omega-caprolactam(r)-3-amino-azepan-2-oneDTXSID00331447C05328Q27104058(R)-2-Aminohexano-6-lactam(R)-3-Aminohexahydro-1H-azepin-2-oneAMY3925

Database identifiers

CAS
28957-33-7
PubChem CID
439823
DTXSID
DTXSID00331447
ChEMBL
CHEMBL40172
ChEBI
CHEBI:29090
UNII
3KJ77H8WZ4
EC Number
674-645-7
Nikkaji
J207.956I

Properties

Computed structural properties

XLogP
-0.5
Topological polar surface area
55.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Melting point
97 · 97-101 °C
Boiling point
315.1 · 315.1±35.0 °C(Predicted)
Density
1.031 · 1.031±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility
30 mg/ml,DMSO: · DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml,PBS (pH 7.2): 10 mg/ml
form
A neat oil

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

ridadr
1759
Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
8
packing_group
III
Hazard statements
H315-H319

Chemistry & industry

Applications · 1 item

Uses(S)-3-Amino-2-azepanone is a useful research chemical. It is used as an intermediate in the synthesis of bengamide E analogs and capuramycin and its analogs as antibacterial agents. (R)-3-Amino-2-azepanone is used as an intermediate for the synthesis of β-oxocarboxamides as antiviral agents.

Upstream & downstream products

Suppliers50 total

济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]

Additional notes

DefinitionChEBI: D-2-aminohexano-6-lactam is a 2-aminohexano-6-lactam. It is a conjugate base of a D-2-ammoniohexano-6-lactam. It is an enantiomer of a L-2-aminohexano-6-lactam.

Related reactions

3 records
New reaction record

Linked notes

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