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CAS 208711-42-6 N,N-DiMethyl(pyrrolidin-3-yl)MethanaMine hydrochloride molecular structure lightbox
CAS RN: 208711-42-6

N,N-DiMethyl(pyrrolidin-3-yl)MethanaMine hydrochloride

  • Product code: SSC-098075
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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, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 208711-42-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry
10g ≥95% 2 In Stock Shenzhen Inquiry

208711-42-6 / N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride

Standard CAS: 208711-42-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
208711-42-6
Multi CAS
No
Molecular Formula
C7H18Cl2N2
Molecular Weight
201.130000
Exact Mass
200.084704
SMILES
CN(C)CC1CCNC1.Cl.Cl
InChI
InChI=1S/C7H16N2.2ClH/c1-9(2)6-7-3-4-8-5-7;;/h7-8H,3-6H2,1-2H3;2*1H
InChIKey
SCPPZSOWKKSVLO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.03
TPSA
15.27

LogP / Solubility

WLOGP
1
MLOGP
0.88
XLogP3
1
Consensus LogP
0.96
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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