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CAS 1135-26-8 3-(3-DIMETHYLAMINO-PROPOXY)-PHENYLAMINE molecular structure lightbox
CAS RN: 1135-26-8

3-(3-DIMETHYLAMINO-PROPOXY)-PHENYLAMINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260321 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1135-26-8
  • Purity/Analytical Methods: >99.0%
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1135-26-8 / 3-[3-(dimethylamino)propoxy]aniline

3-[3-(dimethylamino)propoxy]aniline | 3-(3-(Dimethylamino)propoxy)aniline | DTXSID10651244

Standard CAS: 1135-26-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1135-26-8
Multi CAS
No
Molecular Formula
C11H18N2O
Molecular Weight
194.270000
Exact Mass
194.141913
SMILES
CN(C)CCCOC1=CC=CC(=C1)N
InChI
InChI=1S/C11H18N2O/c1-13(2)7-4-8-14-11-6-3-5-10(12)9-11/h3,5-6,9H,4,7-8,12H2,1-2H3
InChIKey
HYNCMEQKRXCLEF-UHFFFAOYSA-N
Synonyms
3-[3-(dimethylamino)propoxy]aniline 3-(3-(Dimethylamino)propoxy)aniline DTXSID10651244 RefChem:274071 DTXCID40601994

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
1.3
Consensus LogP
1.44
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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
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] H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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