[email protected]
CAS 18636-98-1 2-Methylbenzamidine hydrochloride molecular structure lightbox
CAS RN: 18636-98-1

2-Methylbenzamidine hydrochloride

  • Product code: SSC-086430
GET A QUOTE
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, 25g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 18636-98-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 4 In Stock Shanghai Inquiry
25g >97% 4 In Stock Shenzhen Inquiry
10g >97% 2 In Stock Beijing Inquiry

18636-98-1 / 2-methylbenzenecarboximidamide;hydrochloride

Standard CAS: 18636-98-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18636-98-1
Multi CAS
No
Molecular Formula
C8H11ClN2
Molecular Weight
170.640000
Exact Mass
170.061076
SMILES
CC1=CC=CC=C1C(=N)N.Cl
InChI
InChI=1S/C8H10N2.ClH/c1-6-4-2-3-5-7(6)8(9)10;/h2-5H,1H3,(H3,9,10);1H
InChIKey
USHZYUPZIKQYMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
49.44
TPSA
49.87

LogP / Solubility

WLOGP
1.7
MLOGP
1.49
XLogP3
1.7
Consensus LogP
1.63
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-2.55

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)
Irritant
Signal
Warning
GHS Hazard Statements
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us