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CAS 100-64-1 Cyclohexanone Oxime molecular structure lightbox
CAS RN: 100-64-1

Cyclohexanone Oxime

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260408 100g In stock Shanghai Inquiry
Batchno.20251008 1kg In stock Shenzhen, Chengdu Inquiry
Batchno.20250308 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260103 100g In stock Shanghai, Tianjin Inquiry
Batchno.20250601 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250306 500g In stock Shenzhen, Chengdu Inquiry
  • Product code: SSC-000021
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 100-64-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

100-64-1 / N-cyclohexylidenehydroxylamine

Cyclohexanone oxime | 100-64-1 | Cyclohexanone, oxime

Standard CAS: 100-64-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
100-64-1
Multi CAS
Yes
Molecular Formula
C6H11NO
Molecular Weight
113.160000
Exact Mass
113.084064
SMILES
C1CCC(=NO)CC1
InChI
InChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h8H,1-5H2
InChIKey
VEZUQRBDRNJBJY-UHFFFAOYSA-N
Synonyms
Cyclohexanone oxime 100-64-1 Cyclohexanone, oxime (HYDROXYIMINO)CYCLOHEXANE DTXSID4021842

Physical Properties

Melting Point
192 to 196 °F (NTP, 1992) 89-90 °C
Boiling Point
403 to 410 °F at 760 mmHg (NTP, 1992) 206-210 °C
Physical Description
Prisms, liquid or light tan crystalline solid. (NTP, 1992) Solid; [HSDB] Liquid or light tan solid; mp = 89-91 deg C; [CAMEO] White chunks or powder
Appearance
HEXAGONAL PRISMS FROM PETROLEUM ETHER
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material under ambient temperatures. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.31
TPSA
32.59

LogP / Solubility

WLOGP
1.78
MLOGP
1.56
XLogP3
1.2
Consensus LogP
1.51
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H228 (55%): Flammable solid [Danger Flammable solids] H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (55%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H373 (55%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H412 (15.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P210, P240, P241, P260, P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P319, P330, P337+P317, P370+P378, and P501

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