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CAS 21770-81-0 1-Methylguanidine hydrochloride molecular structure lightbox
CAS RN: 21770-81-0

1-Methylguanidine hydrochloride

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251129 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260414 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batchno.20250625 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250608 500g Out of stock Inquiry
Batchno.20251208 5g In stock Shenzhen Inquiry
  • Product code: starshine_CAS21770-81-0
  • Purity/Analytical Methods: >99.0%
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21770-81-0 / 2-methylguanidine;hydrochloride

Standard CAS: 21770-81-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21770-81-0
Multi CAS
No
Molecular Formula
C2H8ClN3
Molecular Weight
109.560000
Exact Mass
109.040675
SMILES
CN=C(N)N.Cl
InChI
InChI=1S/C2H7N3.ClH/c1-5-2(3)4;/h1H3,(H4,3,4,5);1H
InChIKey
VJQCNCOGZPSOQZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.5
H-bond acceptors
1
H-bond donors
2
Molar refractivity
28.98
TPSA
64.4

LogP / Solubility

WLOGP
-0.69
MLOGP
-0.62
XLogP3
-0.69
Consensus LogP
-0.67
Log S (ESOL)
-0.09
Class (ESOL)
Very soluble
Log S (Ali)
0.04
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.2
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-3.88

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

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