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CAS 1131604-81-3 2-aminoquinazoline-6-carbonitrile molecular structure lightbox
CAS RN: 1131604-81-3

2-aminoquinazoline-6-carbonitrile

  • Product code: SSC-013332
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • 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 1131604-81-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1131604-81-3 / 2-aminoquinazoline-6-carbonitrile

2-aminoquinazoline-6-carbonitrile | DTXSID00611170 | RefChem:465214

Standard CAS: 1131604-81-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1131604-81-3
Multi CAS
No
Molecular Formula
C9H6N4
Molecular Weight
170.170000
Exact Mass
170.059246
SMILES
C1=CC2=NC(=NC=C2C=C1C#N)N
InChI
InChI=1S/C9H6N4/c10-4-6-1-2-8-7(3-6)5-12-9(11)13-8/h1-3,5H,(H2,11,12,13)
InChIKey
FWPZFWVGDNVXFV-UHFFFAOYSA-N
Synonyms
2-aminoquinazoline-6-carbonitrile DTXSID00611170 RefChem:465214 DTXCID60561925 838-226-4

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.67
TPSA
75.59

LogP / Solubility

WLOGP
1.08
MLOGP
0.95
XLogP3
0.9
Consensus LogP
0.98
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-2.99

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] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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