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CAS 1185042-30-1 N-Methyl(1-Methylpyrrolidin-3-yl)MethanaMine HCl molecular structure lightbox
CAS RN: 1185042-30-1

N-Methyl(1-Methylpyrrolidin-3-yl)MethanaMine HCl

  • Product code: SSC-018307
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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: 3
  • 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 1185042-30-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shenzhen Inquiry

1185042-30-1 / N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine;dihydrochloride

N-Methyl(1-methylpyrrolidin-3-yl)methanamine hydrochloride | SCHEMBL31505915 | AKOS023091016

Standard CAS: 1185042-30-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1185042-30-1
Multi CAS
Yes
Molecular Formula
C7H18Cl2N2
Molecular Weight
201.130000
Exact Mass
200.084704
SMILES
CNCC1CCN(C1)C.Cl.Cl
InChI
InChI=1S/C7H16N2.2ClH/c1-8-5-7-3-4-9(2)6-7;;/h7-8H,3-6H2,1-2H3;2*1H
InChIKey
GLZFRABLLKGRHX-UHFFFAOYSA-N
Synonyms
N-Methyl(1-methylpyrrolidin-3-yl)methanamine hydrochloride SCHEMBL31505915 AKOS023091016 DB-361359

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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