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CAS 1204-41-7 4AMINO2METHYLBIPHENYL molecular structure lightbox
CAS RN: 1204-41-7

4AMINO2METHYLBIPHENYL

  • Product code: SSC-021367
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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: 5g
  • 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 1204-41-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1204-41-7 / 4-(2-methylphenyl)aniline

4-Amino-2'-methylbiphenyl | CCRIS 5150 | 2'-Methyl-4-biphenylamine

Standard CAS: 1204-41-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1204-41-7
Multi CAS
No
Molecular Formula
C13H13N
Molecular Weight
183.250000
Exact Mass
183.104799
SMILES
CC1=CC=CC=C1C2=CC=C(C=C2)N
InChI
InChI=1S/C13H13N/c1-10-4-2-3-5-13(10)11-6-8-12(14)9-7-11/h2-9H,14H2,1H3
InChIKey
QBYQOTZDHUGJAZ-UHFFFAOYSA-N
Synonyms
4-Amino-2'-methylbiphenyl CCRIS 5150 2'-Methyl-4-biphenylamine 2'-Methyl[1,1'-biphenyl]-4-amine 4-Biphenylamine, 2'-methyl-

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.03
TPSA
26.02

LogP / Solubility

WLOGP
3.24
MLOGP
2.85
XLogP3
3.2
Consensus LogP
3.1
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53

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

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