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CAS 1185193-49-0 2-(2-Pyrrolidinyl)benzenamine molecular structure lightbox
CAS RN: 1185193-49-0

2-(2-Pyrrolidinyl)benzenamine

  • Product code: SSC-018338
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • 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 1185193-49-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1185193-49-0 / 2-pyrrolidin-2-ylaniline

2-(Pyrrolidin-2-yl)aniline | 2-(2-Pyrrolidinyl)aniline | 2-pyrrolidin-2-ylaniline

Standard CAS: 1185193-49-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1185193-49-0
Multi CAS
No
Molecular Formula
C10H14N2
Molecular Weight
162.230000
Exact Mass
162.115698
SMILES
C1CC(NC1)C2=CC=CC=C2N
InChI
InChI=1S/C10H14N2/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-2,4-5,10,12H,3,6-7,11H2
InChIKey
XSPKIWDYMHSNDF-UHFFFAOYSA-N
Synonyms
2-(Pyrrolidin-2-yl)aniline 2-(2-Pyrrolidinyl)aniline 2-pyrrolidin-2-ylaniline 2-(2-pyrrolidinyl)benzenamine MFCD18705502

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.83
TPSA
38.05

LogP / Solubility

WLOGP
1.69
MLOGP
1.49
XLogP3
1.1
Consensus LogP
1.43
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-2.51

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
2

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