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CAS 118799-24-9 (1,5-DIMETHYL-1H-PYRROL-2-YL)METHYLAMINE molecular structure lightbox
CAS RN: 118799-24-9

(1,5-DIMETHYL-1H-PYRROL-2-YL)METHYLAMINE

  • Product code: SSC-018896
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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: 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 118799-24-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

118799-24-9 / (1,5-dimethylpyrrol-2-yl)methanamine

(1,5-Dimethyl-1H-pyrrol-2-yl)methanamine | RefChem:391474 | 638-932-0

Standard CAS: 118799-24-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118799-24-9
Multi CAS
Yes
Molecular Formula
C7H12N2
Molecular Weight
124.180000
Exact Mass
124.100048
SMILES
CC1=CC=C(N1C)CN
InChI
InChI=1S/C7H12N2/c1-6-3-4-7(5-8)9(6)2/h3-4H,5,8H2,1-2H3
InChIKey
KMUHAJOXPNPERW-UHFFFAOYSA-N
Synonyms
(1,5-Dimethyl-1H-pyrrol-2-yl)methanamine RefChem:391474 638-932-0 (1,5-dimethyl-1H-pyrrol-2-yl)methylamine (1,5-dimethylpyrrol-2-yl)methanamine

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.04
TPSA
30.95

LogP / Solubility

WLOGP
0.79
MLOGP
0.69
Consensus LogP
0.49
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
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)
-2.92

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501

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