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CAS 1205544-78-0 1-(aMinoMethyl)cyclopropanecarbonitrile hcl molecular structure lightbox
CAS RN: 1205544-78-0

1-(aMinoMethyl)cyclopropanecarbonitrile hcl

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250708 1g In stock Inquiry
Batchno.20250622 250mg In stock Inquiry
Batchno.20260413 50mg In stock Inquiry
  • Product code: SSC-021570
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1205544-78-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1205544-78-0 / 1-(aminomethyl)cyclopropane-1-carbonitrile;hydrochloride

1-(aminomethyl)cyclopropane-1-carbonitrile hydrochloride | RefChem:426996 | 849-831-8

Standard CAS: 1205544-78-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1205544-78-0
Multi CAS
Yes
Molecular Formula
C5H9ClN2
Molecular Weight
132.590000
Exact Mass
132.045426
SMILES
C1CC1(CN)C#N.Cl
InChI
InChI=1S/C5H8N2.ClH/c6-3-5(4-7)1-2-5;/h1-3,6H2;1H
InChIKey
RNFZFMSJBABMAV-UHFFFAOYSA-N
Synonyms
1-(aminomethyl)cyclopropane-1-carbonitrile hydrochloride RefChem:426996 849-831-8 1-(Aminomethyl)cyclopropanecarbonitrile hydrochloride 1-(AMINOMETHYL)CYCLOPROPANECARBONITRILE HCL

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.58
TPSA
49.81

LogP / Solubility

WLOGP
0.67
MLOGP
0.58
XLogP3
0.67
Consensus LogP
0.64
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
Class (SILICOS-IT)
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)
-3.05

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): 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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