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CAS 1205-39-6 2-METHYLDIPHENYLAMINE molecular structure lightbox
CAS RN: 1205-39-6

2-METHYLDIPHENYLAMINE

  • Product code: SSC-021531
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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: ＞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 1205-39-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1205-39-6 / 2-methyl-N-phenylaniline

5-Methyl-2-(p-tolyl)pyridine | 5-methyl-2-(4-methylphenyl)pyridine | 5-Methyl-2-p-tolylpyridine

Standard CAS: 1205-39-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1205-39-6
Multi CAS
Yes
Molecular Formula
C13H13N
Molecular Weight
183.250000
Exact Mass
183.104799
SMILES
CC1=CC=CC=C1NC2=CC=CC=C2
InChI
InChI=1S/C13H13N/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h2-10,14H,1H3
InChIKey
JTMODJXOTWYBOZ-UHFFFAOYSA-N
Synonyms
5-Methyl-2-(p-tolyl)pyridine 5-methyl-2-(4-methylphenyl)pyridine 5-Methyl-2-p-tolylpyridine MFCD17170180 EINECS 286-432-2

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.9
TPSA
12.03

LogP / Solubility

WLOGP
3.74
MLOGP
3.29
XLogP3
3.7
Consensus LogP
3.58
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.18

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 37 of 38 companies (only 2.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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