Basic information
- CAS
2073-32-7- Standard SMILES
CC1CCCCNC1=O- InChIKey
FGSUUFDRDVJCLT-UHFFFAOYSA-N- Molecular formula
- C7H13NO
- Average molar mass
- 127.18 g/mol
- Monoisotopic mass
- 127.09971404
Names & identifiers
- Preferred name
- 3-Methylcaprolactam
- IUPAC
- 3-methylazepan-2-one
- English name
- Hexahydro-3-methyl-2H-azepin-2-one
- Molecular formula
- C7H13NO
- Molecular weight
- 127.18
Names & synonyms
3-methylazepan-2-one2073-32-73-MethylcaprolactamDTXSID401347168RefChem:504180DTXCID601775886864-549-52H-Azepin-2-one, hexahydro-3-methyl-methylcaprolactammethylcaprolactim2-methylcaprolactamMFCD08693457
Show more names
Aminocaproic Acid Impurity 11Hexahydro-3-methyl-2H-azepin-2-oneAminocaproic Acid Impurity 3Q: What is Aminocaproic Acid Impurity 3 Q: What is the CAS Number of Aminocaproic Acid Impurity 3
2-Methyl-6-caprolactam.alpha.-Methylcaprolactam3-Methyl-2-azepanone #SCHEMBL567388.alpha.-Methyl-.epsilon.-caprolactamAKOS000278168EN300-140589G78858
Database identifiers
- CAS
2073-32-7- PubChem CID
- 581216
- DTXSID
DTXSID401347168- EC Number
- 864-549-5
- Nikkaji
- J104.413C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Melting point
- 97 · 97-98 °C
- Boiling point
- 126 · 126-128 °C(Press: 0.6 Torr)
- Density
- 0.93 · 0.930±0.06 g/cm3(Predicted)
- pka
- 16 · 16+-.0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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 Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses3-Methylazepan-2-one is used in the preparation of RSV inhibitors and also in the preparation of Nylon 6 fibers via caprolactam polymerization.
Suppliers11 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
3 records
Compound notes
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