CAS
9009-85-2 Purity
ex. Yeast
9009-85-2 Purity
ex. Yeast
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Carbamic acid,N-(4-methyl-2-pyridinyl)-,1,1-dimethylethyl ester
CAS
90101-20-5
Catalog Number
ACM90101205
Category
Other Products
Molecular Weight
208.26
Molecular Formula
C11H16N2O2
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Specification
Synonyms
90101-20-5, (4-Methyl-pyridin-2-yl)-carbamic acid tert-butyl ester, Tert-butyl N-(4-methylpyridin-2-yl)carbamate, 2-Boc-amino-4-methylpyridine, TERT-BUTYL 4-METHYLPYRIDIN-2-YLCARBAMATE, AmbkkkkK140, SureCN828560, AC1Q2J32, CTK8E2496, MolPort-000-002-276, AB2749, ZINC06643318, AKOS015838244, AB42386, AG-H-68949, KB-87970, tert-Butyl (4-methylpyridin-2-yl)carbamate, FT-0678299, A-6698, B67374
IUPAC Name
tert-butyl N-(4-methylpyridin-2-yl)carbamate
Canonical SMILES
CC1=CC(=NC=C1)NC(=O)OC(C)(C)C
InChI Key
SABMAMDNSRZJBK-UHFFFAOYSA-N
Boiling Point
274.2ºC at 760mmHg
Flash Point
119.6ºC
Density
1.108g/cm³
Exact Mass
208.12100
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of Carbamic acid, N-(4-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester?
The molecular formula is C11H16N2O2.
What is the molecular weight of Carbamic acid, N-(4-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester?
The molecular weight is 208.26 g/mol.
What is the IUPAC name of Carbamic acid, N-(4-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester?
The IUPAC name is tert-butyl N-(4-methylpyridin-2-yl)carbamate.
What is the InChI of Carbamic acid, N-(4-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester?
The InChI is InChI=1S/C11H16N2O2/c1-8-5-6-12-9(7-8)13-10(14)15-11(2,3)4/h5-7H,1-4H3,(H,12,13,14).
What is the Canonical SMILES of Carbamic acid, N-(4-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester?
The Canonical SMILES is CC1=CC(=NC=C1)NC(=O)OC(C)(C)C.
What is the CAS number of Carbamic acid, N-(4-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester?
The CAS number is 90101-20-5.
What is the XLogP3-AA value of Carbamic acid, N-(4-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester?
The XLogP3-AA value is 2.1.
How many hydrogen bond donor counts does Carbamic acid, N-(4-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester have?
It has 1 hydrogen bond donor count.
How many rotatable bond counts does Carbamic acid, N-(4-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester have?
It has 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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