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CAS 119-31-3 Phenol, 3-(dimethylamino)-4-methyl- molecular structure lightbox
CAS RN: 119-31-3

Phenol, 3-(dimethylamino)-4-methyl-

  • Product code: SSC-019229
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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: 1g
  • Available purity: ≥95%
  • 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 119-31-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

119-31-3 / 3-(dimethylamino)-4-methylphenol

3-(Dimethylamino)-4-methylphenol | Phenol, 3-(dimethylamino)-4-methyl- | 3-DIMETHYLAMINO-4-METHYLPHENOL

Standard CAS: 119-31-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
119-31-3
Multi CAS
Yes
Molecular Formula
C9H13NO
Molecular Weight
151.210000
Exact Mass
151.099714
SMILES
CC1=C(C=C(C=C1)O)N(C)C
InChI
InChI=1S/C9H13NO/c1-7-4-5-8(11)6-9(7)10(2)3/h4-6,11H,1-3H3
InChIKey
ZQFUXWBKBSWKON-UHFFFAOYSA-N
Synonyms
3-(Dimethylamino)-4-methylphenol Phenol, 3-(dimethylamino)-4-methyl- 3-DIMETHYLAMINO-4-METHYLPHENOL p-Cresol, 3-(dimethylamino)- 2-Dimethylamino-4-hydroxytoluene

Physical Properties

Physical Description
3-dimethylamino-4-methylphenol is a red liquid with phenolic odor.
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.17
TPSA
23.47

LogP / Solubility

WLOGP
1.77
MLOGP
1.55
XLogP3
2.1
Consensus LogP
1.81
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately 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)
-2.39

Drug-likeness / Medicinal Chemistry

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

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