CAS 62096-63-3|6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine|2-氨基-4-乙氧基-6-甲胺基-1,3,5-三嗪|2-Amino-4-ethoxy-6-(methylamino)-1,3,5-triazine|6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine|N-(4-...

Molecular Formula

C₆H₁₁N₅O

Molecular Mass

169.18444

Exact Mass

169.09636

InChI

InChI=1S/C6H11N5O/c1-3-12-6-10-4(7)9-5(8-2)11-6/h3H2,1-2H3,(H3,7,8,9,10,11)

InChIKey

HEMSJLNVJJUYEU-UHFFFAOYSA-N

Canonic Smiles

CCOc1nc(NC)nc(n1)N

Isomeric Smiles

n1c(nc(nc1N)OCC)NC

JChem

Acid pKa

15.1919

H Acceptors

H Donor

LogD (pH = 5.5)

0.56424826

LogD (pH = 7.4)

0.732438

Log P

0.73507893

Molar Refractivity

48.4656

Polarizability

16.212538

Polar Surface Area

85.95

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

693795

IUPAC name

6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine

Synonyms

2-氨基-4-乙氧基-6-甲胺基-1,3,5-三嗪2-Amino-4-ethoxy-6-(methylamino)-1,3,5-triazineN-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-N-methylamine6-Ethoxy-N2-methyl-1,3,5-triazine-2,4-diamine

IUPAC Traditional name

6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine

CAS Number

62096-63-3

PubChem SID

24874290162087008

MDL Number

MFCD00463465

Product Information

Purity

97%

95+%

Empirical Formula (Hill Notation)

C6H11N5O

Physical Property

Melting Point

171-174 °C(lit.)

Safety Information

GHS Hazard statements

H302

European Hazard Symbols

Harmful (Xn)

GHS Signal Word

Warning

Risk Statements

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

MSDS Link

Download link

German water hazard class

No Data Available

Click here to submit data

No Data Available

Click here to submit data

Sigma Aldrich

523003

Packaging
25 g in glass bottle

No Data Available

Click here to submit data

Academic Data

PubChem

693795

IUPAC name

6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine

Synonyms

2-氨基-4-乙氧基-6-甲胺基-1,3,5-三嗪2-Amino-4-ethoxy-6-(methylamino)-1,3,5-triazineN-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-N-methylamine6-Ethoxy-N2-methyl-1,3,5-triazine-2,4-diamine

IUPAC Traditional name

6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine

CAS Number

62096-63-3

PubChem SID

24874290162087008

MDL Number

MFCD00463465

Product Information

Purity

97%

95+%

Empirical Formula (Hill Notation)

C6H11N5O

Physical Property

Melting Point

171-174 °C(lit.)

Safety Information

GHS Hazard statements

H302

European Hazard Symbols

Harmful (Xn)

GHS Signal Word

Warning

Risk Statements

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

MSDS Link

Download link

German water hazard class

Sigma Aldrich

523003

Packaging
25 g in glass bottle

No Data Available

Click here to submit data

Molecule

ID:100988