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CAS 110993-40-3 N-tert-Butyl-3,5-dimethylaniline molecular structure lightbox
CAS RN: 110993-40-3

N-tert-Butyl-3,5-dimethylaniline

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260623 1g In stock Shanghai, Hebei Inquiry
Batchno.20250324 200mg In stock Shanghai Inquiry
  • Product code: SSC-011869
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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: ≥98%
  • 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 110993-40-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

110993-40-3 / N-tert-butyl-3,5-dimethylaniline

6-phenylhexan-1-amine | RefChem:544282 | 842-071-8

Standard CAS: 110993-40-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
110993-40-3
Multi CAS
Yes
Molecular Formula
C12H19N
Molecular Weight
177.290000
Exact Mass
177.151750
SMILES
CC1=CC(=CC(=C1)NC(C)(C)C)C
InChI
InChI=1S/C12H19N/c1-9-6-10(2)8-11(7-9)13-12(3,4)5/h6-8,13H,1-5H3
InChIKey
HMWHVIXDKZHDEO-UHFFFAOYSA-N
Synonyms
6-phenylhexan-1-amine RefChem:544282 842-071-8 6-Phenylhexylamine Benzenehexanamine

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.29
TPSA
12.03

LogP / Solubility

WLOGP
3.51
MLOGP
3.09
XLogP3
3.6
Consensus LogP
3.4
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-1.31

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

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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