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CAS 1211488-02-6 [3-(1-Methyl-1H-pyrazol-4-yl)propyl]amine molecular structure lightbox
CAS RN: 1211488-02-6

[3-(1-Methyl-1H-pyrazol-4-yl)propyl]amine

  • Product code: SSC-022516
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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
  • 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 1211488-02-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

1211488-02-6 / 3-(1-methylpyrazol-4-yl)propan-1-amine

3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine | DTXSID00677635 | RefChem:273219

Standard CAS: 1211488-02-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1211488-02-6
Multi CAS
No
Molecular Formula
C7H13N3
Molecular Weight
139.200000
Exact Mass
139.110947
SMILES
CN1C=C(C=N1)CCCN
InChI
InChI=1S/C7H13N3/c1-10-6-7(5-9-10)3-2-4-8/h5-6H,2-4,8H2,1H3
InChIKey
UFYZSPYVYKTZCA-UHFFFAOYSA-N
Synonyms
3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine DTXSID00677635 RefChem:273219 DTXCID00628384 823-947-9

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.58
TPSA
43.84

LogP / Solubility

WLOGP
0.31
MLOGP
0.27
XLogP3
-0.1
Consensus LogP
0.16
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.18
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)
-3.35

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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