CAS RN: 158001-21-9

1-cyclobutylhydrazine hydrochloride

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Batchno.20250515 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
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158001-21-9 / cyclobutylhydrazine;hydrochloride

DTXSID10598786 | Cyclobutylhydrazine--hydrogen chloride (1/1) | RefChem:334978

Standard CAS: 158001-21-9 Multi CAS: Yes

Basic Information

CAS
158001-21-9
Multi CAS
Yes
Molecular Formula
C4H11CLN2
Molecular Weight
122.600000
Exact Mass
122.061076
SMILES
C1CC(C1)NN.Cl
InChI
InChI=1S/C4H10N2.ClH/c5-6-4-2-1-3-4;/h4,6H,1-3,5H2;1H
InChIKey
AQOZZSWECZTDNR-UHFFFAOYSA-N
Synonyms
DTXSID10598786 Cyclobutylhydrazine--hydrogen chloride (1/1) RefChem:334978 DTXCID00549545 cyclobutylhydrazine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.21
TPSA
38.05

LogP / Solubility

WLOGP
0.42
MLOGP
0.36
XLogP3
0.42
Consensus LogP
0.4
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
Class (SILICOS-IT)
Very 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)
-3.17

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)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

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