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CAS 115279-57-7 2-(4-AMINOPHENYL)-2-METHYLPROPANENITRILE molecular structure lightbox
CAS RN: 115279-57-7

2-(4-AMINOPHENYL)-2-METHYLPROPANENITRILE

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250814 5g / 10g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250323 1g In stock Inquiry
Batchno.20260407 250mg In stock Inquiry
Batchno.20260424 25g In stock Inquiry
Batchno.20251130 5g In stock Inquiry
  • Product code: SSC-015006
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 1g, 0.1g, 0.25g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 115279-57-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 5 In Stock Beijing Inquiry
10g ≥97% 5 In Stock Hong Kong Inquiry
25g ≥97% 5 In Stock Hong Kong Inquiry
1g ≥97% 2 In Stock Shanghai Inquiry
0.1g ≥97% 1 In Stock Beijing Inquiry
0.25g ≥97% 1 In Stock Shenzhen Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

115279-57-7 / 2-(4-aminophenyl)-2-methylpropanenitrile

2-(4-aminophenyl)-2-methylpropanenitrile | DTXSID10434817 | RefChem:251906

Standard CAS: 115279-57-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115279-57-7
Multi CAS
No
Molecular Formula
C10H12N2
Molecular Weight
160.220000
Exact Mass
160.100048
SMILES
CC(C)(C#N)C1=CC=C(C=C1)N
InChI
InChI=1S/C10H12N2/c1-10(2,7-11)8-3-5-9(12)6-4-8/h3-6H,12H2,1-2H3
InChIKey
VXDPOGVDHHJTDY-UHFFFAOYSA-N
Synonyms
2-(4-aminophenyl)-2-methylpropanenitrile DTXSID10434817 RefChem:251906 DTXCID60385643 695-108-3

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.49
TPSA
49.81

LogP / Solubility

WLOGP
2.07
MLOGP
1.82
XLogP3
1.8
Consensus LogP
1.9
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-2.23

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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