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CAS 765869-63-4 1H-Pyrrole-3-methanamine,N,N-dimethyl-(9CI) molecular structure lightbox
CAS RN: 765869-63-4

1H-Pyrrole-3-methanamine,N,N-dimethyl-(9CI)

  • Product code: SSC-185975
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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, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 765869-63-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry

765869-63-4 / N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine

Standard CAS: 765869-63-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
765869-63-4
Multi CAS
Yes
Molecular Formula
C7H12N2
Molecular Weight
124.180000
Exact Mass
124.100048
InChI
InChI=1S/C7H12N2/c1-9(2)6-7-3-4-8-5-7/h3-5,8H,6H2,1-2H3
InChIKey
HJEGIOSAQHGQIF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.18
TPSA
19.03

LogP / Solubility

WLOGP
1.08
MLOGP
0.94
XLogP3
0.5
Consensus LogP
0.84
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
Class (SILICOS-IT)
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)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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