Crotanecine

Catalog Number	ACM5096504
CAS Number	5096-50-4
Molecular Weight	171.19
InChI	InChI=1S/C8H13NO3/c10-4-5-1-2-9-3-6(11)8(12)7(5)9/h1,6-8,10-12H,2-4H2/t6-,7-,8-/m1/s1
InChI Key	VMWCRDCGNVMCGJ-BWZBUEFSSA-N
Purity	95%+
Complexity	216
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	171.08954328
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isomeric SMILES	C1C=C([C@H]2N1C[C@H]([C@H]2O)O)CO
Monoisotopic Mass	171.08954328
PhysicalState	Powder
Rotatable Bond Count	1
Topological Polar Surface Area	63.9 Ų

Custom Q&A

What is the molecular formula of CROTANECINE?

The molecular formula of CROTANECINE is C8H13NO3.

What is the CAS number for CROTANECINE?

The CAS number for CROTANECINE is 5096-50-4.

What is the melting point of CROTANECINE?

The melting point of CROTANECINE is 188-190 °C.

What is the boiling point of CROTANECINE?

The boiling point of CROTANECINE is 369.6±21.0 °C (Predicted).

What is the density of CROTANECINE?

The density of CROTANECINE is 1.45±0.1 g/cm3 (Predicted).

What is the pka value of CROTANECINE?

The pka value of CROTANECINE is 13.95±0.60 (Predicted).

What is the definition of CROTANECINE according to ChEBI?

CROTANECINE is a member of pyrrolizines according to ChEBI.

What are the synonyms for CROTANECINE?

One of the synonyms for CROTANECINE is 1H-Pyrrolizine-1,2-diol, 2,3,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S,2R,7aR)-.

What is the molecular weight of CROTANECINE?

The molecular weight of CROTANECINE is 171.19.

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