CAS 10556-98-6 1,3,5-TRIISOPROPYL HEXAHYDRO-SYM- TRIAZINE molecular structure

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CAS RN: 10556-98-6

1,3,5-TRIISOPROPYL HEXAHYDRO-SYM- TRIAZINE

Product code: SSC-007276

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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: 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 10556-98-6
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	＞95%	0 Out of Stock	Shenzhen	Inquiry

10556-98-6 / 1,3,5-tri(propan-2-yl)-1,3,5-triazinane

1,3,5-Tri(isopropyl)hexahydro-1,3,5-triazine | 1,3,5-Triisopropylhexahydro-1,3,5-triazine | 1,3,5-Triazine, hexahydro-1,3,5-tris(1-methylethyl)-

Standard CAS: 10556-98-6 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

10556-98-6

Multi CAS

Molecular Formula

C12H27N3

Molecular Weight

213.360000

Exact Mass

213.220498

SMILES

CC(C)N1CN(CN(C1)C(C)C)C(C)C

InChI

InChI=1S/C12H27N3/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h10-12H,7-9H2,1-6H3

InChIKey

FBXRCTMIDHCRDT-UHFFFAOYSA-N

Synonyms

1,3,5-Tri(isopropyl)hexahydro-1,3,5-triazine 1,3,5-Triisopropylhexahydro-1,3,5-triazine 1,3,5-Triazine, hexahydro-1,3,5-tris(1-methylethyl)- EINECS 234-142-1 DTXSID00147202

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

Rotatable bonds

H-bond acceptors

Molar refractivity

65.53

TPSA

9.72

LogP / Solubility

WLOGP

MLOGP

1.76

XLogP3

2.8

Consensus LogP

2.19

Log S (ESOL)

-2.23

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.76

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-3.07

Class (SILICOS-IT)

Poorly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.6

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

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] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statement Codes

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501