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CAS 1455-13-6 Methanol-d1 molecular structure lightbox
CAS RN: 1455-13-6

Methanol-d1

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250608 5ml / 5g / 25ml / 25g / 100g Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei, Guangdong Inquiry
  • Product code: ICTM0551
  • Purity/Analytical Methods: >99.0%(GC)
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1455-13-6 / deuteriooxymethane

Standard CAS: 1455-13-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1455-13-6
Multi CAS
No
Molecular Formula
CH4O
Molecular Weight
33.048000
Exact Mass
33.032491
SMILES
[2H]OC
InChI
InChI=1S/CH4O/c1-2/h2H,1H3/i2D
InChIKey
OKKJLVBELUTLKV-VMNATFBRSA-N

Computed Properties

Structural Parameters

Heavy atom count
2
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
8.14
TPSA
20.23

LogP / Solubility

WLOGP
-0.39
MLOGP
-0.36
XLogP3
-0.5
Consensus LogP
-0.42
Log S (ESOL)
0.21
Class (ESOL)
Highly soluble
Log S (Ali)
0.46
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.46
Class (SILICOS-IT)
Highly 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)
-3.19

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Acute Toxic Health Hazard
Signal
Danger
GHS Hazard Statements
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H331 (91.3%): Toxic if inhaled [Danger Acute toxicity, inhalation] H370 (100%): Causes damage to organs [Danger Specific target organ toxicity, single exposure]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P308+P316, P316, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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