N-(3-클로로프로필)모르폴린

4-(3-Chloropropyl)morpholine

HCID 95834CAS 7357-67-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: ClCCCN1CCOCC1
InChIKey: PIAZYBLGBSMNLX-UHFFFAOYSA-N
분자식: C7H14ClNO
평균 분자량: 163.64 g/mol
단동위원소 질량: 163.07639175

이름 및 식별자

우선 이름: 4-(3-Chloropropyl)morpholine
IUPAC: 4-(3-chloropropyl)morpholine
현지명: N-(3-클로로프로필)모르폴린
영어명: 4-(3-Chloropropyl)morpholine
분자식: C7H14ClNO
분자량: 163.65

이름 및 동의어

4-(3-Chloropropyl)morpholineN-(3-Chloropropyl)morpholineMorpholine, 4-(3-chloropropyl)-82BVM8E6TNNSC 38889NSC-38889DTXSID70223769RefChem:97141DTXCID50146260461-510-0691-245-87357-67-7

이름 더 보기

N-(3-클로로프로필)모르폴린Gefitinib iMpurity A4-(3-ChLNSC 28831)-morphoLN-(3-Chloropropyl)MIFLAB-BB F2108-0002Gefitinib IMpurity VIGefitinib Impurity 81

1-Chloro-3-morpholinopropane3-Morpholinopropyl chlorideMFCD000397144-(3-Chloro-propyl)-morpholinechloropropylmorpholine4-(3-chloropropyl)-morpholineUNII-82BVM8E6TN4-(3-chloropropyl) morpholine

데이터베이스 식별자

CAS: 7357-67-7
PubChem CID: 95834
DTXSID: DTXSID70223769
UNII: 82BVM8E6TN
EC Number: 461-510-0、691-245-8、943-703-6
Nikkaji: J46.692A

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 12.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 83.7

물리화학적 성질

녹는점: NA
끓는 점: 115 °C/25mmHg · 115°C/25mmHg(lit.)
밀도: 1.0409 g/cm3 · 1.0409 g/cm3
굴절률: 1.472 · 1.4720-1.4760
인화점: 91 °C · 91 °C
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 7.03 · 7.03±0.10(Predicted)
Specific Gravity: 1.08 · 1.08
색상: 무색~황색
InChI: InChI=1S/C7H14ClNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2
InChIKey: PQECODMSWJOUAT-UHFFFAOYSA-N
SMILES: N1(CCCCl)CCOCC1

화학적 성질

Pale Yellow Oil

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302+H312+H332 (12.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P203, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

유해성 정보

Regulatory InformationStatus: Active Update: 05-06-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28401

Hazard Classes and Categories · 3건

Acute Tox. 4 (50%)

Acute Tox. 4 (62.5%)

Acute Tox. 4 (100%)

안전 데이터

HS 번호: 2934999090
risk_code: 36/37/38
safety_code: 26-36/37/39
위험 등급: IRRITANT

화학 및 산업

응용 분야 · 1건

개요4-(3-Chloropropyl)morpholine is a hydrochloride salt of the potent inhibitor 4-(3-chloropropyl)morpholine. It has an inhibitory effect on cancer, and is used in chromatographic science to separate amines from aliphatic hydrocarbons. 4-(3-Chloropropyl)morpholine inhibits epidermal growth factor (EGF) and has been shown to have a potent inhibitory effect on EGF receptor tyrosine kinase activity. It also inhibits the proliferation of cells by inhibiting DNA synthesis. This compound causes cell death through the inhibition of protein synthesis, which may be due to its ability to inhibit nucleophilic reactions that are involved in protein synthesis. 4-(3-Chloropropyl)morpholine can also fluoresce under UV light, which makes it useful for research purposes.