Noradrenaline EP Impurity F - CAS 103-49-1

Name: Noradrenaline EP Impurity F
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB001152
Product Name:	Noradrenaline EP Impurity F
CAS:	103-49-1
Synonyms:	Benzenemethanamine, N-(phenylmethyl)-; Dibenzylamine; N-(Phenylmethyl)benzenemethanamine; (N-Benzylaminomethyl)benzene; Bibenzylamine; Bisbenzylamine; DBA; N,N-Dibenzylamine; N-Benzylbenzylamine; NSC 4811

Technical Data

Related CAS:	306991-23-1 (Deleted CAS) 20455-68-9 (monohydrochloride)
IUPAC Name:	N-benzyl-1-phenylmethanamine
Description:	Noradrenaline EP Impurity F is an impurity of Noradrenaline, which is a direct α-adrenergic receptor stimulator used as an injectable drug for the treatment of critically low blood pressure.
Molecular Weight:	197.28
Molecular Formula:	C14H15N
Canonical SMILES:	C1=CC=C(C=C1)CNCC2=CC=CC=C2
InChI:	InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChI Key:	BWLUMTFWVZZZND-UHFFFAOYSA-N
Boiling Point:	270°C
Melting Point:	-26°C
Purity:	≥95%
Density:	1.028±0.06 g/cm3
Solubility:	Soluble in Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance:	Clear Colorless to Light Yellow Liquid
Storage:	Store at 2-8°C under inert atmosphere
MDL:	MFCD00004770
LogP:	3.36730
Vapor Pressure:	0.00026 [mmHg]

GHS Hazard Statement:	H302 (99.29%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P332+P313, P337+P313, P362, P363, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
22890876	20121007	Diastereoselective construction of syn-α-oxyamines via three-component α-oxyaldehyde-dibenzylamine-alkyne coupling reaction: application in the synthesis of (+)-β-conhydrine and its analogues	Organic & biomolecular chemistry
22893112	20121007	Efficacious N-protection of O-aryl sulfamates with 2,4-dimethoxybenzyl groups	Organic & biomolecular chemistry
22778040	20121001	Energy transfer and concentration-dependent conformational modulation: a porphyrin-containing [3]rotaxane	Chemistry, an Asian journal
22871802	20120925	(-)-(S)-Nakinadine B: first asymmetric synthesis	Chemical communications (Cambridge, England)
22628195	20120625	Gel sculpture: moldable, load-bearing and self-healing non-polymeric supramolecular gel derived from a simple organic salt	Chemistry (Weinheim an der Bergstrasse, Germany)

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.120449483
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	197.120449483
Rotatable Bond Count:	4
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7