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CAS 104-13-2 4-Butylaniline molecular structure lightbox
CAS RN: 104-13-2

4-Butylaniline

Product Availability

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6 package records5 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250126 100g In stock Inquiry
Batchno.20250904 25g In stock Inquiry
Batchno.20251108 500g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250310 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260128 25g / 100g / 500g Confirm by inquiry Shanghai, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260406 5g In stock Shanghai Inquiry
  • Product code: SSC-005716
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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: 10g, 25g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • 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 104-13-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 3 In Stock Shanghai Inquiry
25g ≥97% 1 In Stock Shanghai Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

104-13-2 / 4-butylaniline

4-Butylaniline | 4-n-Butylaniline | Benzenamine, 4-butyl-

Standard CAS: 104-13-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104-13-2
Multi CAS
Yes
Molecular Formula
C10H15N
Molecular Weight
149.230000
Exact Mass
149.120449
SMILES
CCCCC1=CC=C(C=C1)N
InChI
InChI=1S/C10H15N/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4,11H2,1H3
InChIKey
OGIQUQKNJJTLSZ-UHFFFAOYSA-N
Synonyms
4-Butylaniline 4-n-Butylaniline Benzenamine, 4-butyl- Aniline, p-butyl- BRN 1447268

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.47
TPSA
26.02

LogP / Solubility

WLOGP
2.61
MLOGP
2.29
XLogP3
3
Consensus LogP
2.63
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-1.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301+H311+H331 (85.1%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H301 (85.1%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (12.8%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (85.1%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

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