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CAS 1158441-78-1 N-Methyl-4-(diMethylaMino)benzylaMine Hydrochloride molecular structure lightbox
CAS RN: 1158441-78-1

N-Methyl-4-(diMethylaMino)benzylaMine Hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250620 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-015582
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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: 5g, 0.1g, 0.25g, 1g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 1158441-78-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 2 In Stock Shanghai Inquiry
0.1g >97% 0 Out of Stock Hong Kong Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

1158441-78-1 / N,N-dimethyl-4-(methylaminomethyl)aniline;hydrochloride

N-Methyl-4-(dimethylamino)benzylamine Hydrochloride | N,N-Dimethyl-4-((methylamino)methyl)aniline hydrochloride | MFCD07106762

Standard CAS: 1158441-78-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1158441-78-1
Multi CAS
Yes
Molecular Formula
C10H17ClN2
Molecular Weight
200.710000
Exact Mass
200.108026
SMILES
CNCC1=CC=C(C=C1)N(C)C.Cl
InChI
InChI=1S/C10H16N2.ClH/c1-11-8-9-4-6-10(7-5-9)12(2)3;/h4-7,11H,8H2,1-3H3;1H
InChIKey
XVVDGGSEVSEMCE-UHFFFAOYSA-N
Synonyms
N-Methyl-4-(dimethylamino)benzylamine Hydrochloride N,N-Dimethyl-4-((methylamino)methyl)aniline hydrochloride MFCD07106762 Benzenemethanamine, 4-(dimethylamino)-N-methyl-, hydrochloride (1:1) N,N-dimethyl-4-(methylaminomethyl)aniline;hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.78
TPSA
15.27

LogP / Solubility

WLOGP
1.89
MLOGP
1.67
XLogP3
1.89
Consensus LogP
1.82
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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