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CAS 102910-31-6 PROPYL-D7 ALCOHOL molecular structure lightbox
CAS RN: 102910-31-6

PROPYL-D7 ALCOHOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250730 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS102910-31-6
  • Purity/Analytical Methods: >99.0%
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102910-31-6 / 1,1,2,2,3,3,3-heptadeuteriopropan-1-ol

1-propanol | propanol | Propan-1-ol

Standard CAS: 102910-31-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102910-31-6
Multi CAS
Yes
Molecular Formula
C3H8O
Molecular Weight
67.140000
Exact Mass
67.101452
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])O
InChI
InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3/i1D3,2D2,3D2
InChIKey
BDERNNFJNOPAEC-NCKGIQLSSA-N
Synonyms
1-propanol propanol Propan-1-ol Propyl alcohol n-propanol

Computed Properties

Structural Parameters

Heavy atom count
4
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
17.38
TPSA
20.23

LogP / Solubility

WLOGP
0.39
MLOGP
0.33
XLogP3
0.3
Consensus LogP
0.34
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
-0.33
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.49
Class (SILICOS-IT)
Very 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)
-2.81

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 Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H336 (100%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P370+P378, P403+P233, P403+P235, P405, and P501

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