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CAS 1134-76-5 2-[3-(dimethylamino)propoxy]aniline molecular structure lightbox
CAS RN: 1134-76-5

2-[3-(dimethylamino)propoxy]aniline

  • Product code: SSC-013523
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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: ≥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 1134-76-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1134-76-5 / 2-[3-(dimethylamino)propoxy]aniline

2-[3-(Dimethylamino)propoxy]aniline | 2-(3-(Dimethylamino)propoxy)aniline | MFCD08687610

Standard CAS: 1134-76-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1134-76-5
Multi CAS
No
Molecular Formula
C11H18N2O
Molecular Weight
194.270000
Exact Mass
194.141913
SMILES
CN(C)CCCOC1=CC=CC=C1N
InChI
InChI=1S/C11H18N2O/c1-13(2)8-5-9-14-11-7-4-3-6-10(11)12/h3-4,6-7H,5,8-9,12H2,1-2H3
InChIKey
XGTIDBFMHOJXSS-UHFFFAOYSA-N
Synonyms
2-[3-(Dimethylamino)propoxy]aniline 2-(3-(Dimethylamino)propoxy)aniline MFCD08687610 Benzenamine, 2-[3-(dimethylamino)propoxy]- 2-3-(Dimethylamino)propoxyaniline

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.52
TPSA
38.49

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
1.6
Consensus LogP
1.54
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-2.77

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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