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CAS 115833-93-7 3-PYRROLIDIN-1-YL-PHENYLAMINE molecular structure lightbox
CAS RN: 115833-93-7

3-PYRROLIDIN-1-YL-PHENYLAMINE

  • Product code: SSC-015563
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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: 1g, 5g, 10g, 0.1g, 0.25g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 6
  • 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 115833-93-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
5g ≥97% 5 In Stock Beijing Inquiry
10g ≥97% 5 In Stock Shenzhen Inquiry
0.1g ≥97% 4 In Stock Shenzhen Inquiry
0.25g ≥97% 4 In Stock Shenzhen Inquiry
25g ≥97% 2 In Stock Shenzhen Inquiry

115833-93-7 / 3-pyrrolidin-1-ylaniline

3-(pyrrolidin-1-yl)aniline | DTXSID90363999 | RefChem:275965

Standard CAS: 115833-93-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115833-93-7
Multi CAS
Yes
Molecular Formula
C10H14N2
Molecular Weight
162.230000
Exact Mass
162.115698
SMILES
C1CCN(C1)C2=CC=CC(=C2)N
InChI
InChI=1S/C10H14N2/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8H,1-2,6-7,11H2
InChIKey
DNPBFTQZONVQDX-UHFFFAOYSA-N
Synonyms
3-(pyrrolidin-1-yl)aniline DTXSID90363999 RefChem:275965 DTXCID00315045 868-417-8

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
1
Molar refractivity
52.3
TPSA
29.26

LogP / Solubility

WLOGP
1.87
MLOGP
1.64
XLogP3
2.9
Consensus LogP
2.14
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-2.38

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] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501

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